G4VJK8_SCHMA Loading...

Autophagy-related protein 101

AlphaFold DB , UniProt , Accession G4VJK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.9Low92.2Very high137 Ų13773.9 Ų73.968%0.67538%0.381SS*.  0126.40-85.5174.2152.600106.8V110 Y169M1-V110 HydrophobicContact SD-CG2 4.48Å; M1-Y169 WeakPolarHBondContact CE-OH 3.33Å
2N82.6Confident92.6Very high159 Ų15967.8 Ų67.885%0.8535%0.35SS*.PPolyproline II helixtrans-81.6123.8172.3-66.9-15000107.4R4N2-R4 PolarHBondContact O-N 3.23Å
3C92.4Very high92.8Very high39 Ų3965.4 Ų65.426%0.26434%0.34SS..PPolyproline II helixtrans-62.8128.3172.5-179.30000108.8
4R94.8Very high93Very high94 Ų9465.4 Ų65.436%0.35534%0.338SS..EExtended strand (participates in β ladder)trans-84.1126.3170.4-66.2-173.9177.4-166.90.6109N2 Y6 W124 E125 R126 S167N2-R4 PolarHBondContact O-N 3.23Å; R4-Y6 HydrophobicContact CB-CE2 4.2Å; R4-W124 PolarHBondContact N-O 3.47Å; R4-E125 CarbonylContact O-C 3.47Å; R4-E125 VanDerWaalsContact O-CA 3.3Å; R4-E125 WeakPolarHBondContact O-CA 3.44Å; R4-R126 PolarHBondContact O-N 3.09Å; R4-S167 PolarHBondContact NH1-O 2.99Å; R4-S167 PolarHBondContact NH2-O 2.84Å
5E96.1Very high93.2Very high108 Ų10866.6 Ų66.651%0.50535%0.351SS..EExtended strand (participates in β ladder)trans-118.8136.6-174.9-57.8-166.5155.400111.3R126E5-R126 WeakPolarHBondContact CA-O 3.26Å; E5-R126 HydrophobicContact CG-CB 4.29Å; E5-R126 IonicContact OE1-CZ 2.72Å; E5-R126 IonicContact OE1-NH1 3.71Å; E5-R126 PolarHBondContact OE1-NH1 2.72Å
6Y97.2Very high93.5Very high56 Ų5662.9 Ų62.922%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-130.5142.2175-50.3-79.6000108.5R4 E125 R126 W127 I128 H162R4-Y6 HydrophobicContact CB-CE2 4.2Å; Y6-E125 HydrophobicContact CE2-CG 4.1Å; Y6-R126 PolarHBondContact N-O 2.77Å; Y6-W127 HydrophobicContact CD1-CH2 4.3Å; Y6-W127 HydrophobicContact CD1-CZ3 4.32Å; Y6-W127 AromaticContact CD2-CD2 3.61Å; Y6-W127 HydrophobicContact CD2-CD2 3.61Å; Y6-W127 AromaticContact CD2-CE2 3.42Å; Y6-W127 VanDerWaalsContact CD2-CE2 3.42Å; Y6-W127 AromaticContact CD2-CE3 3.82Å; Y6-W127 HydrophobicContact CD2-CE3 3.82Å; Y6-W127 HydrophobicContact CD2-CG 4.27Å; Y6-W127 AromaticContact CD2-CH2 3.73Å; Y6-W127 HydrophobicContact CD2-CH2 3.73Å; Y6-W127 AromaticContact CD2-CZ2 3.5Å; Y6-W127 HydrophobicContact CD2-CZ2 3.5Å; Y6-W127 VanDerWaalsContact CD2-CZ2 3.5Å; Y6-W127 AromaticContact CD2-CZ3 3.87Å; Y6-W127 HydrophobicContact CD2-CZ3 3.87Å; Y6-W127 AromaticContact CD2-NE1 3.94Å; Y6-W127 AromaticContact CE2-CE2 3.89Å; Y6-W127 HydrophobicContact CE2-CH2 4.1Å; Y6-W127 AromaticContact CE2-CZ2 3.67Å; Y6-W127 HydrophobicContact CE2-CZ2 3.67Å; Y6-W127 HydrophobicContact CG-CD2 4.08Å; Y6-W127 AromaticContact CG-CE3 3.79Å; Y6-W127 HydrophobicContact CG-CE3 3.79Å; Y6-W127 AromaticContact CG-CH2 3.83Å; Y6-W127 HydrophobicContact CG-CH2 3.83Å; Y6-W127 HydrophobicContact CG-CZ2 4.1Å; Y6-W127 AromaticContact CG-CZ3 3.65Å; Y6-W127 HydrophobicContact CG-CZ3 3.65Å; Y6-W127 CarbonylContact O-C 3.55Å; Y6-W127 WeakPolarHBondContact O-CA 3.27Å; Y6-I128 PolarHBondContact O-N 3.29Å; Y6-H162 AromaticContact CE1-CE1 3.7Å; Y6-H162 AromaticContact CE1-ND1 3.96Å; Y6-H162 AromaticContact CZ-CE1 3.41Å; Y6-H162 VanDerWaalsContact CZ-CE1 3.41Å; Y6-H162 AromaticContact CZ-NE2 3.57Å; Y6-H162 PolarHBondContact OH-CE1 2.79Å; Y6-H162 PolarHBondContact OH-NE2 3.08Å; Y6-H162 VanDerWaalsContact OH-NE2 3.12Å
7S97.6Very high93.8Very high82 Ų8259.3 Ų59.357%0.57331%0.312SS*.EExtended strand (participates in β ladder)trans-137.4134.8-17663.60000111.7I128S7-I128 CarbonylContact C-O 3.52Å; S7-I128 VanDerWaalsContact CA-O 3.31Å; S7-I128 WeakPolarHBondContact CA-O 2.91Å
8F98.4Very high94Very high9 Ų958.7 Ų58.74%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-111153.4170.4-46.2-80.3000109.7F10 L24 W127 I128 V129 N130 E155 I159F8-F10 HydrophobicContact CB-CD2 3.98Å; F8-F10 HydrophobicContact CB-CE2 3.64Å; F8-F10 HydrophobicContact CG-CE2 4.36Å; F8-L24 HydrophobicContact CD2-CD1 4.04Å; F8-L24 HydrophobicContact CE1-CD2 4.34Å; F8-L24 HydrophobicContact CE2-CD1 4.46Å; F8-L24 HydrophobicContact CE2-CD2 4.3Å; F8-L24 HydrophobicContact CG-CD1 4.25Å; F8-L24 HydrophobicContact CZ-CD2 4.21Å; F8-W127 AromaticContact CE2-CE3 3.66Å; F8-W127 HydrophobicContact CE2-CE3 3.66Å; F8-W127 HydrophobicContact CE2-CZ3 4.28Å; F8-W127 AromaticContact CZ-CE3 3.55Å; F8-W127 HydrophobicContact CZ-CE3 3.55Å; F8-W127 AromaticContact CZ-CZ3 3.68Å; F8-W127 HydrophobicContact CZ-CZ3 3.68Å; F8-I128 PolarHBondContact N-O 2.99Å; F8-V129 HydrophobicContact CD2-CG2 4.11Å; F8-N130 VanDerWaalsContact O-CB 3.32Å; F8-N130 WeakPolarHBondContact O-CB 3.37Å; F8-N130 PolarHBondContact O-N 3.29Å; F8-N130 PolarHBondContact O-ND2 3.03Å; F8-E155 HydrophobicContact CD1-CB 4.06Å; F8-E155 HydrophobicContact CD1-CG 3.94Å; F8-E155 WeakPolarHBondContact CD1-OE2 3.27Å; F8-E155 HydrophobicContact CE1-CB 4.11Å; F8-E155 HydrophobicContact CE1-CG 4.42Å; F8-I159 HydrophobicContact CE1-CD1 4.32Å; F8-I159 HydrophobicContact CE1-CG1 4.32Å; F8-I159 HydrophobicContact CZ-CD1 3.74Å; F8-I159 HydrophobicContact CZ-CG1 3.85Å
9I98.1Very high94.3Very high101 Ų10156.2 Ų56.252%0.51830%0.3SS..EExtended strand (participates in β ladder)trans-129.9117.8175-55.6177000108.5N130 I132 Q151I9-N130 WeakPolarHBondContact CA-O 3.38Å; I9-N130 HydrophobicContact CG1-CB 4.19Å; I9-I132 HydrophobicContact CG2-CD1 3.88Å; I9-Q151 PolarHBondContact O-NE2 3.18Å
10F98.5Very high94.5Very high0 Ų053.4 Ų53.40%029%0.285CS..EExtended strand (participates in β ladder)trans-120.7129179.6-77.1-88.7000110.3F8 V12 V20 L24 V129 N130 I132 I148 Q151 L152 E155F8-F10 HydrophobicContact CB-CD2 3.98Å; F8-F10 HydrophobicContact CB-CE2 3.64Å; F8-F10 HydrophobicContact CG-CE2 4.36Å; F10-V12 HydrophobicContact CB-CG1 3.93Å; F10-V20 HydrophobicContact CB-CG1 4.24Å; F10-V20 HydrophobicContact CD1-CG1 3.84Å; F10-V20 HydrophobicContact CD1-CG2 4.12Å; F10-V20 HydrophobicContact CD2-CG1 3.56Å; F10-V20 HydrophobicContact CE1-CG1 4.02Å; F10-V20 HydrophobicContact CE1-CG2 4.38Å; F10-V20 HydrophobicContact CE2-CG1 3.75Å; F10-V20 HydrophobicContact CG-CG1 3.61Å; F10-V20 HydrophobicContact CZ-CG1 3.97Å; F10-L24 HydrophobicContact CD2-CD1 4.42Å; F10-L24 HydrophobicContact CE2-CD1 3.69Å; F10-L24 HydrophobicContact CZ-CD1 4.31Å; F10-V129 HydrophobicContact CD2-CG1 4.22Å; F10-N130 PolarHBondContact N-O 3.18Å; F10-I132 PolarHBondContact O-N 3.23Å; F10-I148 HydrophobicContact CD1-CG2 4.45Å; F10-Q151 HydrophobicContact CD1-CG 4.42Å; F10-Q151 HydrophobicContact CE1-CB 4.23Å; F10-Q151 HydrophobicContact CE1-CG 3.79Å; F10-Q151 HydrophobicContact CZ-CG 4.29Å; F10-L152 HydrophobicContact CE1-CB 4.17Å; F10-L152 HydrophobicContact CZ-CB 4.45Å; F10-L152 HydrophobicContact CZ-CD1 4.12Å; F10-E155 HydrophobicContact CE2-CG 4.43Å; F10-E155 HydrophobicContact CZ-CB 4.42Å; F10-E155 HydrophobicContact CZ-CG 3.96Å
11S97.2Very high94.7Very high28 Ų2850.9 Ų50.920%0.19627%0.272CS..EExtended strand (participates in β ladder)trans-105.599.1173.5-80.40000109I132 K134 H144 I148S11-I132 CarbonylContact C-O 3.57Å; S11-I132 WeakPolarHBondContact CA-O 3.33Å; S11-K134 VanDerWaalsContact CB-NZ 3.33Å; S11-K134 VanDerWaalsContact OG-CE 3.27Å; S11-K134 WeakPolarHBondContact OG-CE 3.37Å; S11-K134 PolarHBondContact OG-NZ 3.46Å; S11-H144 PolarHBondContact O-CE1 3.09Å; S11-I148 VanDerWaalsContact O-CD1 3.28Å; S11-I148 WeakPolarHBondContact O-CD1 3.43Å
12V97.6Very high96.5Very high1 Ų144.8 Ų44.81%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-130.4162.7-162.7-68.10000112.4F10 E16 I17 V20 V131 I132 L133 K134 I148F10-V12 HydrophobicContact CB-CG1 3.93Å; V12-E16 WeakPolarHBondContact CA-OE2 3.34Å; V12-E16 HydrophobicContact CB-CB 4.05Å; V12-E16 WeakPolarHBondContact CB-OE2 3.32Å; V12-E16 HydrophobicContact CG1-CB 4.28Å; V12-I17 HydrophobicContact CG2-CG1 3.76Å; V12-V20 HydrophobicContact CG1-CG2 4.29Å; V12-V131 HydrophobicContact CG2-CG1 3.7Å; V12-I132 PolarHBondContact N-O 3.38Å; V12-L133 WeakPolarHBondContact O-CA 3.29Å; V12-K134 PolarHBondContact O-N 3.01Å; V12-I148 HydrophobicContact CG1-CD1 4.07Å; V12-I148 HydrophobicContact CG1-CG1 4.22Å; V12-I148 HydrophobicContact CG1-CG2 3.92Å
13V95.7Very high97.3Very high36 Ų3637.2 Ų37.222%0.21820%0.203CC..  trans-85.2157.5161.9-62.40000110.6P15 E16 V136V13-P15 VanDerWaalsContact C-CD 3.47Å; V13-E16 HydrophobicContact CG2-CG 3.73Å; V13-E16 WeakPolarHBondContact CG2-OE2 3.47Å; V13-E16 PolarHBondContact N-OE2 2.88Å; V13-E16 WeakPolarHBondContact O-CB 3.28Å; V13-E16 PolarHBondContact O-N 2.62Å; V13-V136 HydrophobicContact CG1-CB 4.02Å; V13-V136 HydrophobicContact CG1-CG2 3.61Å
14E95.3Very high97.6Very high66 Ų6635.4 Ų35.431%0.30819%0.19SC..THydrogen-bonded Turntrans-51.3-44.7-171.8-166.2-178.6137.100114.6E16 I17 H88 L133E14-E16 PolarHBondContact O-N 3.18Å; E14-E16 VanDerWaalsContact O-N 3.16Å; E14-I17 HydrophobicContact CG-CD1 4.34Å; E14-I17 WeakPolarHBondContact O-CG1 2.98Å; E14-I17 PolarHBondContact O-N 3.34Å; E14-H88 VanDerWaalsContact CD-ND1 3.34Å; E14-H88 IonicContact OE1-CE1 3.71Å; E14-H88 IonicContact OE1-CG 2.84Å; E14-H88 IonicContact OE1-ND1 3.19Å; E14-H88 PolarHBondContact OE1-ND1 3.21Å; E14-H88 IonicContact OE2-CE1 2.79Å; E14-H88 IonicContact OE2-CG 2.94Å; E14-H88 IonicContact OE2-ND1 2.7Å; E14-H88 PolarHBondContact OE2-ND1 3.26Å; E14-L133 HydrophobicContact CB-CD1 3.92Å
15P95.6Very high97.8Very high83 Ų8330.9 Ų30.954%0.53917%0.173SC..THydrogen-bonded Turntrans-64-21.3-179.1-2436.4000114.9V13 S59V13-P15 VanDerWaalsContact C-CD 3.47Å; P15-S59 VanDerWaalsContact C-OG 3.27Å; P15-S59 VanDerWaalsContact CB-OG 3.31Å; P15-S59 WeakPolarHBondContact CB-OG 3.32Å; P15-S59 WeakPolarHBondContact O-CB 3.23Å; P15-S59 PolarHBondContact O-OG 3.03Å
16E98.2Very high97.9Very high8 Ų826.1 Ų26.14%0.03715%0.151CC..Hα-helixtrans-83.8-18.7-176.9-64.4166.9163.400112.4V12 V13 E14 S18 D19 V20 L60 H144V12-E16 WeakPolarHBondContact CA-OE2 3.34Å; V12-E16 HydrophobicContact CB-CB 4.05Å; V12-E16 WeakPolarHBondContact CB-OE2 3.32Å; V12-E16 HydrophobicContact CG1-CB 4.28Å; V13-E16 HydrophobicContact CG2-CG 3.73Å; V13-E16 WeakPolarHBondContact CG2-OE2 3.47Å; V13-E16 PolarHBondContact N-OE2 2.88Å; V13-E16 WeakPolarHBondContact O-CB 3.28Å; V13-E16 PolarHBondContact O-N 2.62Å; E14-E16 PolarHBondContact O-N 3.18Å; E14-E16 VanDerWaalsContact O-N 3.16Å; E16-S18 VanDerWaalsContact C-N 3.3Å; E16-S18 PolarHBondContact O-N 2.69Å; E16-D19 PolarHBondContact O-N 2.98Å; E16-V20 WeakPolarHBondContact O-CG2 3.46Å; E16-V20 PolarHBondContact O-N 3.25Å; E16-L60 HydrophobicContact CB-CD2 4.32Å; E16-L60 HydrophobicContact CG-CD2 3.79Å; E16-L60 HydrophobicContact CG-CG 4.34Å; E16-H144 IonicContact OE1-CD2 3.57Å; E16-H144 IonicContact OE2-CD2 3.66Å; E16-H144 IonicContact OE2-NE2 3.44Å; E16-H144 PolarHBondContact OE2-NE2 2.81Å
17I98.2Very high98Very high1 Ų124 Ų241%0.00514%0.144CC..Hα-helixtrans-56.3-46.8-176.7-59.7172.9000110.7V12 E14 D19 V20 V21 F83 V84 V131 L133V12-I17 HydrophobicContact CG2-CG1 3.76Å; E14-I17 HydrophobicContact CG-CD1 4.34Å; E14-I17 WeakPolarHBondContact O-CG1 2.98Å; E14-I17 PolarHBondContact O-N 3.34Å; I17-D19 VanDerWaalsContact C-N 3.34Å; I17-D19 PolarHBondContact O-N 3.43Å; I17-V20 PolarHBondContact O-N 2.94Å; I17-V21 HydrophobicContact CG2-CG2 4.16Å; I17-V21 WeakPolarHBondContact O-CB 3.35Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.44Å; I17-V21 PolarHBondContact O-N 3.49Å; I17-F83 HydrophobicContact CG2-CD1 4.02Å; I17-F83 HydrophobicContact CG2-CE1 3.8Å; I17-V84 HydrophobicContact CB-CG2 4Å; I17-V84 HydrophobicContact CG2-CG2 3.69Å; I17-V131 HydrophobicContact CD1-CG1 4.14Å; I17-V131 HydrophobicContact CG1-CG1 3.96Å; I17-L133 HydrophobicContact CD1-CD1 4.3Å
18S98.4Very high98Very high48 Ų4820.1 Ų20.134%0.33612%0.116SC..Hα-helixtrans-62.8-42.2-177.4-170.80000111.8E16 S22E16-S18 VanDerWaalsContact C-N 3.3Å; E16-S18 PolarHBondContact O-N 2.69Å; S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.04Å; S18-S22 PolarHBondContact O-OG 3.13Å
19D98.7Very high98Very high11 Ų1119.7 Ų19.76%0.05912%0.115CC..Hα-helixtrans-65.6-49.8179.3-73.7-16.8000111.4E16 I17 V21 S22 A23 C57 K58 S59 L60E16-D19 PolarHBondContact O-N 2.98Å; I17-D19 VanDerWaalsContact C-N 3.34Å; I17-D19 PolarHBondContact O-N 3.43Å; D19-V21 PolarHBondContact O-N 2.76Å; D19-S22 PolarHBondContact O-N 3.45Å; D19-A23 WeakPolarHBondContact O-CB 3.37Å; D19-A23 PolarHBondContact O-N 2.89Å; D19-C57 HydrophobicContact CB-CB 3.99Å; D19-C57 VanDerWaalsContact CG-CB 3.47Å; D19-C57 WeakPolarHBondContact OD2-CB 3.28Å; D19-K58 PolarHBondContact OD1-N 3.32Å; D19-K58 PolarHBondContact OD2-N 3.34Å; D19-S59 WeakPolarHBondContact OD2-CA 3.29Å; D19-S59 VanDerWaalsContact OD2-CB 3.3Å; D19-S59 WeakPolarHBondContact OD2-CB 3.49Å; D19-S59 PolarHBondContact OD2-N 3.42Å; D19-L60 HydrophobicContact CB-CD1 3.92Å; D19-L60 HydrophobicContact CB-CG 4.15Å; D19-L60 PolarHBondContact OD2-N 3.38Å
20V98.8Very high98Very high1 Ų117 Ų171%0.00610%0.101CC..Hα-helixtrans-57.9-52.9179.4169.40000110.9F10 V12 E16 I17 L24 L60 V129 I148 L152F10-V20 HydrophobicContact CB-CG1 4.24Å; F10-V20 HydrophobicContact CD1-CG1 3.84Å; F10-V20 HydrophobicContact CD1-CG2 4.12Å; F10-V20 HydrophobicContact CD2-CG1 3.56Å; F10-V20 HydrophobicContact CE1-CG1 4.02Å; F10-V20 HydrophobicContact CE1-CG2 4.38Å; F10-V20 HydrophobicContact CE2-CG1 3.75Å; F10-V20 HydrophobicContact CG-CG1 3.61Å; F10-V20 HydrophobicContact CZ-CG1 3.97Å; V12-V20 HydrophobicContact CG1-CG2 4.29Å; E16-V20 WeakPolarHBondContact O-CG2 3.46Å; E16-V20 PolarHBondContact O-N 3.25Å; I17-V20 PolarHBondContact O-N 2.94Å; V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 WeakPolarHBondContact O-CD1 3.44Å; V20-L24 VanDerWaalsContact O-CG 3.25Å; V20-L24 WeakPolarHBondContact O-CG 3.37Å; V20-L24 PolarHBondContact O-N 3.38Å; V20-L24 VanDerWaalsContact O-N 3.15Å; V20-L60 HydrophobicContact CG2-CD1 3.81Å; V20-V129 HydrophobicContact CG1-CG1 4.29Å; V20-I148 HydrophobicContact CG2-CG2 3.94Å; V20-L152 HydrophobicContact CG1-CD1 4.44Å; V20-L152 HydrophobicContact CG2-CD2 4.36Å
21V98.8Very high98Very high0 Ų020 Ų200%012%0.115CC..Hα-helixtrans-67.9-43.4-175.2179.70000110.7I17 D19 F25 V80 F83 I104 V129I17-V21 HydrophobicContact CG2-CG2 4.16Å; I17-V21 WeakPolarHBondContact O-CB 3.35Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.44Å; I17-V21 PolarHBondContact O-N 3.49Å; D19-V21 PolarHBondContact O-N 2.76Å; V21-F25 HydrophobicContact CG1-CD1 4.5Å; V21-F25 HydrophobicContact CG1-CD2 3.73Å; V21-F25 HydrophobicContact CG1-CE1 4.4Å; V21-F25 HydrophobicContact CG1-CE2 3.59Å; V21-F25 HydrophobicContact CG1-CG 4.2Å; V21-F25 HydrophobicContact CG1-CZ 3.96Å; V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 WeakPolarHBondContact O-CG 3.37Å; V21-F25 PolarHBondContact O-N 2.97Å; V21-V80 HydrophobicContact CB-CG1 4.44Å; V21-V80 HydrophobicContact CB-CG2 4.22Å; V21-V80 HydrophobicContact CG1-CG2 3.63Å; V21-F83 HydrophobicContact CG2-CE1 4.48Å; V21-I104 HydrophobicContact CB-CG2 4.49Å; V21-I104 HydrophobicContact CG1-CD1 4.16Å; V21-I104 HydrophobicContact CG1-CG2 3.72Å; V21-I104 HydrophobicContact CG2-CG2 3.83Å; V21-V129 HydrophobicContact CG2-CB 4.48Å; V21-V129 HydrophobicContact CG2-CG1 4.07Å
22S98.8Very high98Very high10 Ų1019.2 Ų19.27%0.0711%0.108CC..Hα-helixtrans-64.9-44.2-179.5-57.20000111.5S18 D19 L24 F25 H26 Y64S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.04Å; S18-S22 PolarHBondContact O-OG 3.13Å; D19-S22 PolarHBondContact O-N 3.45Å; S22-L24 PolarHBondContact O-N 3.3Å; S22-F25 PolarHBondContact O-N 3.11Å; S22-H26 VanDerWaalsContact O-CB 3.27Å; S22-H26 WeakPolarHBondContact O-CB 3.45Å; S22-H26 PolarHBondContact O-CD2 3.41Å; S22-H26 PolarHBondContact O-N 3.27Å; S22-Y64 WeakPolarHBondContact CB-OH 3.29Å
23A98.8Very high98Very high0 Ų019.5 Ų19.50%011%0.109CC..Hα-helixtrans-60.7-47.2178.800000111.9D19 T27 Y64 L152 L156D19-A23 WeakPolarHBondContact O-CB 3.37Å; D19-A23 PolarHBondContact O-N 2.89Å; A23-T27 VanDerWaalsContact O-CB 3.29Å; A23-T27 WeakPolarHBondContact O-CB 3.46Å; A23-T27 PolarHBondContact O-N 3.26Å; A23-T27 VanDerWaalsContact O-N 3.11Å; A23-T27 PolarHBondContact O-OG1 3.44Å; A23-Y64 HydrophobicContact CB-CD1 3.64Å; A23-Y64 HydrophobicContact CB-CD2 4.46Å; A23-Y64 HydrophobicContact CB-CE1 4.21Å; A23-Y64 HydrophobicContact CB-CG 3.77Å; A23-L152 HydrophobicContact CB-CD1 4.23Å; A23-L152 HydrophobicContact CB-CD2 3.98Å; A23-L152 HydrophobicContact CB-CG 4.46Å; A23-L156 HydrophobicContact CB-CD1 4.48Å; A23-L156 HydrophobicContact CB-CD2 4.47Å
24L98.9Very high98.1Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-62.6-51.6177.2-66.7167.6000111.1F8 F10 V20 S22 T27 I28 V129 L152 E155 L156 I159F8-L24 HydrophobicContact CD2-CD1 4.04Å; F8-L24 HydrophobicContact CE1-CD2 4.34Å; F8-L24 HydrophobicContact CE2-CD1 4.46Å; F8-L24 HydrophobicContact CE2-CD2 4.3Å; F8-L24 HydrophobicContact CG-CD1 4.25Å; F8-L24 HydrophobicContact CZ-CD2 4.21Å; F10-L24 HydrophobicContact CD2-CD1 4.42Å; F10-L24 HydrophobicContact CE2-CD1 3.69Å; F10-L24 HydrophobicContact CZ-CD1 4.31Å; V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 WeakPolarHBondContact O-CD1 3.44Å; V20-L24 VanDerWaalsContact O-CG 3.25Å; V20-L24 WeakPolarHBondContact O-CG 3.37Å; V20-L24 PolarHBondContact O-N 3.38Å; V20-L24 VanDerWaalsContact O-N 3.15Å; S22-L24 PolarHBondContact O-N 3.3Å; L24-T27 PolarHBondContact O-N 3.3Å; L24-I28 WeakPolarHBondContact O-CD1 3.37Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.36Å; L24-I28 PolarHBondContact O-N 2.88Å; L24-V129 HydrophobicContact CD1-CG1 4.13Å; L24-V129 HydrophobicContact CD1-CG2 3.71Å; L24-L152 HydrophobicContact CD1-CD1 4.4Å; L24-L152 HydrophobicContact CD2-CD1 3.95Å; L24-L152 HydrophobicContact CG-CD1 3.84Å; L24-E155 HydrophobicContact CD2-CB 4.13Å; L24-L156 HydrophobicContact CD2-CD2 4.19Å; L24-I159 HydrophobicContact CD2-CD1 3.59Å
25F98.8Very high98.1Very high0 Ų016.6 Ų16.60%010%0.095CC..Hα-helixtrans-66-42.6-175.7-75.62.4000112.6V21 S22 T27 I28 L29 V76 I104 L106 V129 I198V21-F25 HydrophobicContact CG1-CD1 4.5Å; V21-F25 HydrophobicContact CG1-CD2 3.73Å; V21-F25 HydrophobicContact CG1-CE1 4.4Å; V21-F25 HydrophobicContact CG1-CE2 3.59Å; V21-F25 HydrophobicContact CG1-CG 4.2Å; V21-F25 HydrophobicContact CG1-CZ 3.96Å; V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 WeakPolarHBondContact O-CG 3.37Å; V21-F25 PolarHBondContact O-N 2.97Å; S22-F25 PolarHBondContact O-N 3.11Å; F25-T27 VanDerWaalsContact C-N 3.33Å; F25-T27 PolarHBondContact O-N 3.2Å; F25-I28 HydrophobicContact CD1-CD1 4.49Å; F25-I28 PolarHBondContact O-N 2.82Å; F25-L29 VanDerWaalsContact O-CB 3.28Å; F25-L29 WeakPolarHBondContact O-CB 3.33Å; F25-L29 WeakPolarHBondContact O-CD1 3.4Å; F25-L29 WeakPolarHBondContact O-CG 3.22Å; F25-L29 PolarHBondContact O-N 2.9Å; F25-V76 HydrophobicContact CB-CG1 4.29Å; F25-V76 HydrophobicContact CD2-CG1 4.5Å; F25-I104 HydrophobicContact CE2-CD1 3.88Å; F25-I104 HydrophobicContact CE2-CG1 3.85Å; F25-I104 HydrophobicContact CE2-CG2 4.4Å; F25-I104 HydrophobicContact CZ-CB 4.45Å; F25-I104 HydrophobicContact CZ-CD1 4.42Å; F25-I104 HydrophobicContact CZ-CG1 3.94Å; F25-I104 HydrophobicContact CZ-CG2 4.01Å; F25-L106 HydrophobicContact CB-CD2 4.34Å; F25-L106 HydrophobicContact CD1-CB 3.86Å; F25-L106 HydrophobicContact CD1-CD2 4.12Å; F25-L106 HydrophobicContact CD2-CB 4.46Å; F25-L106 HydrophobicContact CE1-CB 3.62Å; F25-L106 HydrophobicContact CE2-CB 4.27Å; F25-L106 HydrophobicContact CG-CB 4.28Å; F25-L106 HydrophobicContact CG-CD2 4.24Å; F25-L106 HydrophobicContact CZ-CB 3.84Å; F25-V129 HydrophobicContact CD1-CG2 4.44Å; F25-V129 HydrophobicContact CE1-CG2 3.74Å; F25-V129 HydrophobicContact CZ-CG2 4.35Å; F25-I198 HydrophobicContact CD2-CD1 4.05Å; F25-I198 HydrophobicContact CD2-CG1 4.46Å; F25-I198 HydrophobicContact CD2-CG2 4.37Å; F25-I198 HydrophobicContact CE2-CD1 4.37Å; F25-I198 HydrophobicContact CE2-CG1 4.37Å; F25-I198 HydrophobicContact CE2-CG2 3.66Å
26H98.7Very high98.1Very high7 Ų714.3 Ų14.33%0.0328%0.08CC..Hα-helixtrans-65.4-37.6177-79.7-57.8000112.5S22 L29 L30 Y64 C66S22-H26 VanDerWaalsContact O-CB 3.27Å; S22-H26 WeakPolarHBondContact O-CB 3.45Å; S22-H26 PolarHBondContact O-CD2 3.41Å; S22-H26 PolarHBondContact O-N 3.27Å; H26-L29 PolarHBondContact O-N 2.83Å; H26-L30 WeakPolarHBondContact O-CB 3.31Å; H26-L30 PolarHBondContact O-N 2.82Å; H26-Y64 HydrophobicContact CB-CD2 3.96Å; H26-Y64 HydrophobicContact CB-CE2 3.69Å; H26-Y64 AromaticContact CD2-CE2 3.57Å; H26-Y64 AromaticContact CG-CE2 3.88Å; H26-C66 HydrophobicContact CB-CB 3.6Å
27T98.5Very high98Very high12 Ų1214.6 Ų14.67%0.0748%0.082CC..Hα-helixtrans-64.9-44.6175.1-580000111A23 L24 F25 L29 L30 H31 L156 I159 L160A23-T27 VanDerWaalsContact O-CB 3.29Å; A23-T27 WeakPolarHBondContact O-CB 3.46Å; A23-T27 PolarHBondContact O-N 3.26Å; A23-T27 VanDerWaalsContact O-N 3.11Å; A23-T27 PolarHBondContact O-OG1 3.44Å; L24-T27 PolarHBondContact O-N 3.3Å; F25-T27 VanDerWaalsContact C-N 3.33Å; F25-T27 PolarHBondContact O-N 3.2Å; T27-L29 PolarHBondContact O-N 2.96Å; T27-L30 WeakPolarHBondContact O-CB 3.46Å; T27-L30 PolarHBondContact O-N 3.38Å; T27-H31 PolarHBondContact O-CD2 2.91Å; T27-H31 VanDerWaalsContact O-CD2 3.24Å; T27-L156 HydrophobicContact CG2-CD2 4.11Å; T27-L156 VanDerWaalsContact OG1-CD2 3.32Å; T27-L156 WeakPolarHBondContact OG1-CD2 3.15Å; T27-I159 HydrophobicContact CG2-CB 4.48Å; T27-I159 HydrophobicContact CG2-CG2 3.89Å; T27-L160 HydrophobicContact CG2-CD2 4.28Å
28I98.6Very high97.8Very high0 Ų016.3 Ų16.30%09%0.091CC..Hα-helixtrans-62.9-44.3175.7-65.9157.6000110.9L24 F25 L30 H31 R32 L106 F108 W127 I159 F163L24-I28 WeakPolarHBondContact O-CD1 3.37Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.36Å; L24-I28 PolarHBondContact O-N 2.88Å; F25-I28 HydrophobicContact CD1-CD1 4.49Å; F25-I28 PolarHBondContact O-N 2.82Å; I28-L30 VanDerWaalsContact C-N 3.29Å; I28-L30 PolarHBondContact O-N 2.87Å; I28-H31 PolarHBondContact O-N 2.99Å; I28-R32 WeakPolarHBondContact O-CG 3.46Å; I28-R32 PolarHBondContact O-N 3.03Å; I28-L106 HydrophobicContact CB-CD2 3.94Å; I28-L106 HydrophobicContact CD1-CD2 4.43Å; I28-L106 HydrophobicContact CG2-CD2 3.62Å; I28-F108 HydrophobicContact CG2-CE2 3.71Å; I28-F108 HydrophobicContact CG2-CZ 3.92Å; I28-W127 HydrophobicContact CD1-CB 3.77Å; I28-W127 HydrophobicContact CD1-CD2 3.56Å; I28-W127 HydrophobicContact CD1-CE3 3.76Å; I28-W127 HydrophobicContact CD1-CG 3.59Å; I28-W127 HydrophobicContact CG1-CD2 4.01Å; I28-W127 HydrophobicContact CG1-CE3 4.25Å; I28-W127 HydrophobicContact CG1-CG 4.33Å; I28-W127 HydrophobicContact CG2-CD2 4.37Å; I28-W127 HydrophobicContact CG2-CG 4.21Å; I28-I159 HydrophobicContact CD1-CD1 4.28Å; I28-I159 HydrophobicContact CG1-CD1 4.06Å; I28-I159 HydrophobicContact CG1-CG1 4.49Å; I28-I159 HydrophobicContact CG1-CG2 4.15Å; I28-F163 HydrophobicContact CG1-CE2 4.49Å; I28-F163 HydrophobicContact CG2-CE2 4.45Å; I28-F163 HydrophobicContact CG2-CZ 4.11Å
29L98.6Very high97.6Very high1 Ų115.9 Ų15.91%0.0058%0.083CC..Hα-helixtrans-65.9-30.5179.3-74.4165000112.5F25 H26 T27 H31 R32 T33 L72 V76 L106 F108 F196F25-L29 VanDerWaalsContact O-CB 3.28Å; F25-L29 WeakPolarHBondContact O-CB 3.33Å; F25-L29 WeakPolarHBondContact O-CD1 3.4Å; F25-L29 WeakPolarHBondContact O-CG 3.22Å; F25-L29 PolarHBondContact O-N 2.9Å; H26-L29 PolarHBondContact O-N 2.83Å; T27-L29 PolarHBondContact O-N 2.96Å; L29-H31 PolarHBondContact O-N 3.37Å; L29-R32 CarbonylContact O-C 3.54Å; L29-R32 PolarHBondContact O-N 3.4Å; L29-R32 VanDerWaalsContact O-N 3.11Å; L29-T33 VanDerWaalsContact O-CB 3.29Å; L29-T33 WeakPolarHBondContact O-CB 3.42Å; L29-T33 PolarHBondContact O-N 2.98Å; L29-T33 PolarHBondContact O-OG1 2.86Å; L29-L72 HydrophobicContact CB-CD2 4.5Å; L29-L72 HydrophobicContact CD1-CD1 3.98Å; L29-L72 HydrophobicContact CD1-CG 4.47Å; L29-L72 HydrophobicContact CD2-CD1 4.35Å; L29-V76 HydrophobicContact CD1-CG2 3.47Å; L29-V76 VanDerWaalsContact CD1-CG2 3.47Å; L29-L106 HydrophobicContact CD2-CD1 4.3Å; L29-L106 HydrophobicContact CD2-CD2 4.38Å; L29-L106 HydrophobicContact CG-CD2 4.05Å; L29-F108 HydrophobicContact CD2-CE1 4.16Å; L29-F108 HydrophobicContact CD2-CZ 4.15Å; L29-F196 HydrophobicContact CD2-CD1 3.86Å; L29-F196 HydrophobicContact CD2-CD2 4.24Å; L29-F196 HydrophobicContact CD2-CE1 3.85Å; L29-F196 HydrophobicContact CD2-CE2 4.23Å; L29-F196 HydrophobicContact CD2-CG 4.06Å; L29-F196 HydrophobicContact CD2-CZ 4.04Å
30L97.8Very high97.3Very high44 Ų4422.1 Ų22.123%0.2311%0.11CC..Hα-helixtrans-56.6-40.8173.2-177.861.9000111.4H26 T27 I28 I52 V65 I67H26-L30 WeakPolarHBondContact O-CB 3.31Å; H26-L30 PolarHBondContact O-N 2.82Å; T27-L30 WeakPolarHBondContact O-CB 3.46Å; T27-L30 PolarHBondContact O-N 3.38Å; I28-L30 VanDerWaalsContact C-N 3.29Å; I28-L30 PolarHBondContact O-N 2.87Å; L30-I52 HydrophobicContact CD1-CG2 3.71Å; L30-V65 HydrophobicContact CD2-CG1 4.3Å; L30-I67 HydrophobicContact CD1-CD1 4.39Å; L30-I67 HydrophobicContact CD1-CG1 3.72Å
31H97Very high96.9Very high63 Ų6326.6 Ų26.629%0.29216%0.156SC..THydrogen-bonded Turntrans-88.9-3.9178.7-64.2-78.8000114.5T27 I28 L29 L160 F163T27-H31 PolarHBondContact O-CD2 2.91Å; T27-H31 VanDerWaalsContact O-CD2 3.24Å; I28-H31 PolarHBondContact O-N 2.99Å; L29-H31 PolarHBondContact O-N 3.37Å; H31-L160 WeakPolarHBondContact NE2-CD2 3.41Å; H31-F163 HydrophobicContact CB-CB 4.25Å; H31-F163 HydrophobicContact CB-CD1 3.27Å; H31-F163 HydrophobicContact CB-CD2 3.86Å; H31-F163 HydrophobicContact CB-CE1 3.23Å; H31-F163 HydrophobicContact CB-CE2 3.96Å; H31-F163 HydrophobicContact CB-CG 3.56Å; H31-F163 HydrophobicContact CB-CZ 3.67Å; H31-F163 AromaticContact CD2-CD2 3.75Å; H31-F163 AromaticContact CD2-CG 3.99Å; H31-F163 AromaticContact CG-CD1 3.88Å; H31-F163 AromaticContact CG-CD2 3.84Å; H31-F163 AromaticContact CG-CG 3.64Å
32R97.7Very high96.4Very high12 Ų1229.1 Ų29.15%0.04518%0.182CC..THydrogen-bonded Turntrans-119.617.8178.7-64.8-65.3-170-118.6-8.2112.9I28 L29 F108 E125 F163 Y169 Y194I28-R32 WeakPolarHBondContact O-CG 3.46Å; I28-R32 PolarHBondContact O-N 3.03Å; L29-R32 CarbonylContact O-C 3.54Å; L29-R32 PolarHBondContact O-N 3.4Å; L29-R32 VanDerWaalsContact O-N 3.11Å; R32-F108 HydrophobicContact CB-CD1 4.19Å; R32-F108 HydrophobicContact CB-CE1 3.36Å; R32-F108 HydrophobicContact CB-CE2 4.24Å; R32-F108 HydrophobicContact CB-CZ 3.4Å; R32-F108 HydrophobicContact CG-CD1 4.45Å; R32-F108 HydrophobicContact CG-CD2 4.43Å; R32-F108 HydrophobicContact CG-CE1 3.83Å; R32-F108 HydrophobicContact CG-CE2 3.8Å; R32-F108 HydrophobicContact CG-CZ 3.47Å; R32-F108 VanDerWaalsContact CG-CZ 3.47Å; R32-E125 IonicContact CZ-OE1 3.96Å; R32-E125 IonicContact CZ-OE2 2.8Å; R32-E125 IonicContact NE-OE1 2.63Å; R32-E125 IonicContact NE-OE2 3.03Å; R32-E125 PolarHBondContact NE-OE2 3.27Å; R32-E125 IonicContact NH2-OE1 2.96Å; R32-E125 PolarHBondContact NH2-OE1 2.92Å; R32-E125 IonicContact NH2-OE2 3.36Å; R32-E125 PolarHBondContact NH2-OE2 3.49Å; R32-F163 HydrophobicContact CG-CE1 3.88Å; R32-F163 HydrophobicContact CG-CZ 3.97Å; R32-F163 VanDerWaalsContact NH2-CE1 3.28Å; R32-Y169 PolarHBondContact NH2-O 3.47Å; R32-Y194 HydrophobicContact CB-CD2 4.28Å; R32-Y194 WeakPolarHBondContact O-CD2 3.15Å; R32-Y194 PolarHBondContact O-N 3.45Å
33T98.2Very high96Very high6 Ų631.5 Ų31.54%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-123135.5172.6-52.10000110.1L29 L50 I67 I191 P193L29-T33 VanDerWaalsContact O-CB 3.29Å; L29-T33 WeakPolarHBondContact O-CB 3.42Å; L29-T33 PolarHBondContact O-N 2.98Å; L29-T33 PolarHBondContact O-OG1 2.86Å; T33-L50 HydrophobicContact CG2-CD2 4.04Å; T33-L50 VanDerWaalsContact O-CD1 3.23Å; T33-L50 WeakPolarHBondContact O-CD1 3.43Å; T33-I67 HydrophobicContact CG2-CD1 3.59Å; T33-I67 WeakPolarHBondContact OG1-CD1 3.3Å; T33-I191 HydrophobicContact CG2-CB 3.76Å; T33-I191 HydrophobicContact CG2-CD1 4.05Å; T33-I191 HydrophobicContact CG2-CG1 4.38Å; T33-I191 HydrophobicContact CG2-CG2 4.28Å; T33-P193 HydrophobicContact CG2-CB 4Å
34L97.2Very high95.8Very high24 Ų2434.3 Ų34.313%0.12622%0.22CC..EExtended strand (participates in β ladder)trans-102.7154.7176.5-56.5173.9000109.2L37 Y46 L173 I184 S192L34-L37 HydrophobicContact CB-CD2 4.24Å; L34-L37 HydrophobicContact CD1-CD1 4.21Å; L34-L37 HydrophobicContact CD1-CD2 4.08Å; L34-Y46 HydrophobicContact CB-CE1 4.4Å; L34-L173 HydrophobicContact CD1-CD1 3.86Å; L34-L173 HydrophobicContact CD1-CD2 3.95Å; L34-L173 HydrophobicContact CD1-CG 4.46Å; L34-I184 HydrophobicContact CD1-CD1 4Å; L34-S192 WeakPolarHBondContact CB-O 3.41Å; L34-S192 PolarHBondContact N-O 3.46Å; L34-S192 VanDerWaalsContact N-O 3.1Å; L34-S192 PolarHBondContact O-N 3.01Å
35P96.2Very high95.5Very high17 Ų1737 Ų3711%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-56.4166160.3-11.322.9000110.4L37 Y46 S48 L50P35-L37 PolarHBondContact O-N 3.24Å; P35-L37 VanDerWaalsContact O-N 3.16Å; P35-Y46 HydrophobicContact CB-CD1 4.28Å; P35-Y46 HydrophobicContact CB-CG 4.3Å; P35-Y46 HydrophobicContact CG-CD1 4.08Å; P35-Y46 HydrophobicContact CG-CD2 4.39Å; P35-Y46 HydrophobicContact CG-CG 3.97Å; P35-S48 VanDerWaalsContact CB-O 3.26Å; P35-S48 WeakPolarHBondContact CB-O 3.38Å; P35-L50 HydrophobicContact CB-CG 4.4Å; P35-L50 HydrophobicContact CG-CD1 4.38Å; P35-L50 HydrophobicContact CG-CG 3.95Å
36T95.5Very high95.2Very high36 Ų3643.5 Ų43.522%0.22126%0.264CS..PPolyproline II helixtrans-53.2124.9175.7-58.90000110.4N47 S48 G190T36-N47 WeakPolarHBondContact CB-OD1 3.36Å; T36-N47 VanDerWaalsContact CG2-OD1 3.25Å; T36-N47 WeakPolarHBondContact CG2-OD1 3.48Å; T36-N47 PolarHBondContact O-N 2.5Å; T36-N47 VanDerWaalsContact O-N 3.12Å; T36-N47 PolarHBondContact O-OD1 2.84Å; T36-S48 PolarHBondContact N-OG 3.43Å; T36-S48 PolarHBondContact OG1-OG 3.05Å; T36-G190 WeakPolarHBondContact OG1-CA 3.5Å; T36-G190 PolarHBondContact OG1-O 3.42Å
37L95.4Very high94.7Very high13 Ų1347.7 Ų47.77%0.06829%0.287CS..EExtended strand (participates in β ladder)trans-83.6137.3178.3-55.5178.5000110.7L34 P35 F39 V44 S45 Y46 L173 T180 I184 F186L34-L37 HydrophobicContact CB-CD2 4.24Å; L34-L37 HydrophobicContact CD1-CD1 4.21Å; L34-L37 HydrophobicContact CD1-CD2 4.08Å; P35-L37 PolarHBondContact O-N 3.24Å; P35-L37 VanDerWaalsContact O-N 3.16Å; L37-F39 HydrophobicContact CB-CE2 3.77Å; L37-F39 HydrophobicContact CB-CZ 3.98Å; L37-F39 HydrophobicContact CD1-CE2 4.45Å; L37-F39 HydrophobicContact CD1-CZ 3.97Å; L37-V44 HydrophobicContact CB-CG2 4.37Å; L37-V44 HydrophobicContact CD2-CG2 4.09Å; L37-S45 WeakPolarHBondContact CA-O 3.49Å; L37-Y46 HydrophobicContact CD2-CD1 3.62Å; L37-Y46 HydrophobicContact CD2-CE1 3.45Å; L37-Y46 VanDerWaalsContact CD2-CE1 3.45Å; L37-L173 HydrophobicContact CD1-CD1 4.07Å; L37-L173 HydrophobicContact CD1-CD2 4.32Å; L37-L173 HydrophobicContact CD2-CD1 4.13Å; L37-T180 HydrophobicContact CD1-CG2 4.26Å; L37-I184 HydrophobicContact CD1-CG1 4.23Å; L37-I184 HydrophobicContact CD1-CG2 4.29Å; L37-F186 HydrophobicContact CB-CE1 4.07Å; L37-F186 HydrophobicContact CD1-CE1 3.87Å; L37-F186 HydrophobicContact CD1-CZ 3.97Å; L37-F186 HydrophobicContact CG-CE1 4.25Å
38D94.7Very high94.3Very high38 Ų3849.2 Ų49.220%0.20330%0.297CS..EExtended strand (participates in β ladder)trans-119.7135.3169.2-170.621.4000109.6K40 S45 N47D38-K40 WeakPolarHBondContact OD2-CD 3.46Å; D38-K40 WeakPolarHBondContact OD2-CE 3.25Å; D38-K40 IonicContact OD2-NZ 2.69Å; D38-K40 PolarHBondContact OD2-NZ 3.24Å; D38-S45 PolarHBondContact N-O 3.39Å; D38-S45 PolarHBondContact O-N 2.92Å; D38-S45 PolarHBondContact O-OG 2.93Å; D38-N47 HydrophobicContact CB-CB 4.16Å
39F94.5Very high93.9Very high39 Ų3958.3 Ų58.317%0.17133%0.333CS..EExtended strand (participates in β ladder)trans-117.3110.2-175.9-61.4-88.7000109.6L37 A43 V44 Q177 T180 F186L37-F39 HydrophobicContact CB-CE2 3.77Å; L37-F39 HydrophobicContact CB-CZ 3.98Å; L37-F39 HydrophobicContact CD1-CE2 4.45Å; L37-F39 HydrophobicContact CD1-CZ 3.97Å; F39-A43 WeakPolarHBondContact CA-O 3.41Å; F39-V44 HydrophobicContact CD1-CB 4.05Å; F39-V44 HydrophobicContact CD1-CG2 4.06Å; F39-V44 HydrophobicContact CE1-CB 3.95Å; F39-V44 HydrophobicContact CE1-CG2 3.64Å; F39-V44 HydrophobicContact CZ-CG2 4.11Å; F39-Q177 HydrophobicContact CD2-CB 3.99Å; F39-Q177 HydrophobicContact CE2-CB 4.01Å; F39-T180 WeakPolarHBondContact CE1-OG1 3.23Å; F39-T180 HydrophobicContact CZ-CG2 4.04Å; F39-F186 HydrophobicContact CE2-CE1 4.15Å; F39-F186 AromaticContact CE2-CZ 3.81Å; F39-F186 HydrophobicContact CE2-CZ 3.81Å; F39-F186 AromaticContact CZ-CZ 3.98Å; F39-F186 HydrophobicContact CZ-CZ 3.98Å
40K92.6Very high93.7Very high141 Ų14160.5 Ų60.561%0.61335%0.345SS*.EExtended strand (participates in β ladder)trans-136.9128.8-178.2-73.5176.8176.4147.60111D38 G42 A43D38-K40 WeakPolarHBondContact OD2-CD 3.46Å; D38-K40 WeakPolarHBondContact OD2-CE 3.25Å; D38-K40 IonicContact OD2-NZ 2.69Å; D38-K40 PolarHBondContact OD2-NZ 3.24Å; K40-G42 PolarHBondContact O-N 3.28Å; K40-G42 VanDerWaalsContact O-N 3.17Å; K40-A43 PolarHBondContact N-O 3.42Å; K40-A43 PolarHBondContact O-N 3.15Å
41G90.3Very high93.5Very high95 Ų9559.5 Ų59.598%0.97935%0.345SS*.THydrogen-bonded Turntrans58.728.5175.500000114.4A43G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 2.91Å
42G88.5Confident93.6Very high53 Ų5361.3 Ų61.355%0.54636%0.356SS..THydrogen-bonded Turntrans79.61.5-175.600000114.9K40 S175K40-G42 PolarHBondContact O-N 3.28Å; K40-G42 VanDerWaalsContact O-N 3.17Å; G42-S175 WeakPolarHBondContact O-CB 3.5Å
43A90.6Very high93.5Very high60 Ų6062.7 Ų62.750%0.49637%0.367SS..EExtended strand (participates in β ladder)trans-99144.5172.600000111F39 K40 G41F39-A43 WeakPolarHBondContact CA-O 3.41Å; K40-A43 PolarHBondContact N-O 3.42Å; K40-A43 PolarHBondContact O-N 3.15Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 2.91Å
44V93.1Very high93.5Very high60 Ų6068.3 Ų68.336%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-100.1135.4170.362.30000109.4L37 F39 L173L37-V44 HydrophobicContact CB-CG2 4.37Å; L37-V44 HydrophobicContact CD2-CG2 4.09Å; F39-V44 HydrophobicContact CD1-CB 4.05Å; F39-V44 HydrophobicContact CD1-CG2 4.06Å; F39-V44 HydrophobicContact CE1-CB 3.95Å; F39-V44 HydrophobicContact CE1-CG2 3.64Å; F39-V44 HydrophobicContact CZ-CG2 4.11Å; V44-L173 HydrophobicContact CG1-CD1 4.46Å; V44-L173 HydrophobicContact CG2-CD1 4.09Å
45S93.6Very high93.6Very high56 Ų5669.1 Ų69.139%0.39240%0.403SS..EExtended strand (participates in β ladder)trans-139.3162.6178.462.20000111L37 D38L37-S45 WeakPolarHBondContact CA-O 3.49Å; D38-S45 PolarHBondContact N-O 3.39Å; D38-S45 PolarHBondContact O-N 2.92Å; D38-S45 PolarHBondContact O-OG 2.93Å
46Y92.6Very high93.7Very high136 Ų13673.9 Ų73.953%0.53343%0.427SS..EExtended strand (participates in β ladder)trans-95.4129.5170.3-53.5-47000109.2L34 P35 L37L34-Y46 HydrophobicContact CB-CE1 4.4Å; P35-Y46 HydrophobicContact CB-CD1 4.28Å; P35-Y46 HydrophobicContact CB-CG 4.3Å; P35-Y46 HydrophobicContact CG-CD1 4.08Å; P35-Y46 HydrophobicContact CG-CD2 4.39Å; P35-Y46 HydrophobicContact CG-CG 3.97Å; L37-Y46 HydrophobicContact CD2-CD1 3.62Å; L37-Y46 HydrophobicContact CD2-CE1 3.45Å; L37-Y46 VanDerWaalsContact CD2-CE1 3.45Å
47N88.4Confident93.8Very high96 Ų9672.9 Ų72.951%0.51342%0.421SS..  trans-106.84175.970.513.8000113.3T36 D38T36-N47 WeakPolarHBondContact CB-OD1 3.36Å; T36-N47 VanDerWaalsContact CG2-OD1 3.25Å; T36-N47 WeakPolarHBondContact CG2-OD1 3.48Å; T36-N47 PolarHBondContact O-N 2.5Å; T36-N47 VanDerWaalsContact O-N 3.12Å; T36-N47 PolarHBondContact O-OD1 2.84Å; D38-N47 HydrophobicContact CB-CB 4.16Å
48S88.7Confident93.9Very high43 Ų4381.7 Ų81.730%0.30146%0.459SS..SBendtrans-142.5179.4176.973.80000111.2P35 T36P35-S48 VanDerWaalsContact CB-O 3.26Å; P35-S48 WeakPolarHBondContact CB-O 3.38Å; T36-S48 PolarHBondContact N-OG 3.43Å; T36-S48 PolarHBondContact OG1-OG 3.05Å
49Y91.2Very high94.1Very high192 Ų19281.5 Ų81.575%0.75346%0.461SS*.  trans-113.2158.2168.961.7-87.6000110G51Y49-G51 PolarHBondContact O-N 2.95Å
50L93.3Very high94.3Very high47 Ų4780 Ų8025%0.24645%0.454CS..  trans-82.3109.8169.9-71.7171.3000109.3T33 P35 I67 I191T33-L50 HydrophobicContact CG2-CD2 4.04Å; T33-L50 VanDerWaalsContact O-CD1 3.23Å; T33-L50 WeakPolarHBondContact O-CD1 3.43Å; P35-L50 HydrophobicContact CB-CG 4.4Å; P35-L50 HydrophobicContact CG-CD1 4.38Å; P35-L50 HydrophobicContact CG-CG 3.95Å; L50-I67 HydrophobicContact CD2-CD1 4.44Å; L50-I191 HydrophobicContact CD2-CB 4.4Å; L50-I191 HydrophobicContact CD2-CG2 3.72Å
51G95.5Very high94.4Very high23 Ų2379.2 Ų79.224%0.23746%0.457CS..  trans-67.6138.7167.500000110.4Y49 I67 N68Y49-G51 PolarHBondContact O-N 2.95Å; G51-I67 WeakPolarHBondContact O-CA 3.35Å; G51-N68 PolarHBondContact O-N 2.94Å
52I97.4Very high94.8Very high101 Ų10175.8 Ų75.852%0.51842%0.416SS..EExtended strand (participates in β ladder)trans-125.9155.617660.1172.3000110.5L30 V65 C66L30-I52 HydrophobicContact CD1-CG2 3.71Å; I52-V65 HydrophobicContact CB-CG1 3.79Å; I52-V65 HydrophobicContact CD1-CG1 4.05Å; I52-V65 HydrophobicContact CG1-CG1 4.39Å; I52-V65 HydrophobicContact CG2-CG1 4.23Å; I52-C66 CarbonylContact C-O 3.5Å; I52-C66 WeakPolarHBondContact CA-O 3.42Å
53C96.8Very high95.3Very high40 Ų4077 Ų7727%0.2741%0.413SS..EExtended strand (participates in β ladder)trans-142.6153.5171.253.70000111.3V65 C66C53-V65 WeakPolarHBondContact O-CA 3.3Å; C53-C66 PolarHBondContact N-O 2.87Å; C53-C66 PolarHBondContact O-N 2.83Å; C53-C66 PolarHBondContact SG-SG 3.02Å
54D98.2Very high95.6Very high124 Ų12475.2 Ų75.266%0.66339%0.393SS*.EExtended strand (participates in β ladder)trans-84.6137.9174.1-59.4-31.7000109.6T63D54-T63 HydrophobicContact CB-CG2 3.82Å
55V98.3Very high95.8Very high42 Ų4274.5 Ų74.526%0.25539%0.389SS..EExtended strand (participates in β ladder)trans-128.9114-179.7-175.40000109.4T63 Y64 C66V55-T63 WeakPolarHBondContact O-CA 3.25Å; V55-Y64 HydrophobicContact CB-CD1 4.29Å; V55-Y64 HydrophobicContact CB-CD2 4.37Å; V55-Y64 HydrophobicContact CB-CE1 3.86Å; V55-Y64 HydrophobicContact CB-CE2 3.93Å; V55-Y64 HydrophobicContact CG1-CE1 3.75Å; V55-Y64 HydrophobicContact CG1-CE2 4.35Å; V55-Y64 WeakPolarHBondContact CG1-OH 3.31Å; V55-Y64 HydrophobicContact CG2-CE2 4.19Å; V55-Y64 PolarHBondContact N-O 2.88Å; V55-Y64 WeakPolarHBondContact O-CD1 3.44Å; V55-Y64 PolarHBondContact O-N 2.93Å; V55-C66 VanDerWaalsContact CG2-SG 3.6Å
56D98.5Very high96Very high117 Ų11772 Ų7263%0.62637%0.371SS*.EExtended strand (participates in β ladder)trans-73.5128.6173.6-62.7-32.6000110.2T63D56-T63 WeakPolarHBondContact OD1-CB 3.47Å; D56-T63 VanDerWaalsContact OD1-CG2 3.28Å; D56-T63 WeakPolarHBondContact OD1-CG2 3.26Å; D56-T63 PolarHBondContact OD1-OG1 2.93Å
57C98.5Very high96.3Very high15 Ų1565.6 Ų65.610%0.10135%0.346CS..  trans-62.9147.2170.2-73.60000110.8D19 L60 L62D19-C57 HydrophobicContact CB-CB 3.99Å; D19-C57 VanDerWaalsContact CG-CB 3.47Å; D19-C57 WeakPolarHBondContact OD2-CB 3.28Å; C57-L60 HydrophobicContact CB-CB 3.93Å; C57-L60 VanDerWaalsContact CB-O 3.25Å; C57-L60 WeakPolarHBondContact CB-O 3.46Å; C57-L62 WeakPolarHBondContact CB-O 3.46Å; C57-L62 PolarHBondContact N-O 2.83Å; C57-L62 PolarHBondContact SG-O 3.46Å
58K97.8Very high96.7Very high197 Ų19765.8 Ų65.886%0.85735%0.348SS*.SBendtrans-87.4-33.7-176.3-67.6178.9-179174.70113.1D19D19-K58 PolarHBondContact OD1-N 3.32Å; D19-K58 PolarHBondContact OD2-N 3.34Å
59S97.6Very high97.1Very high34 Ų3464.3 Ų64.324%0.23834%0.337CS..SBendtrans-111.9-22.9-174-560000111.9P15 D19 R145P15-S59 VanDerWaalsContact C-OG 3.27Å; P15-S59 VanDerWaalsContact CB-OG 3.31Å; P15-S59 WeakPolarHBondContact CB-OG 3.32Å; P15-S59 WeakPolarHBondContact O-CB 3.23Å; P15-S59 PolarHBondContact O-OG 3.03Å; D19-S59 WeakPolarHBondContact OD2-CA 3.29Å; D19-S59 VanDerWaalsContact OD2-CB 3.3Å; D19-S59 WeakPolarHBondContact OD2-CB 3.49Å; D19-S59 PolarHBondContact OD2-N 3.42Å; S59-R145 VanDerWaalsContact O-CD 3.23Å; S59-R145 WeakPolarHBondContact O-CD 3.37Å; S59-R145 VanDerWaalsContact O-CG 3.29Å; S59-R145 WeakPolarHBondContact O-CG 3.28Å
60L98.2Very high97.4Very high8 Ų861 Ų614%0.04233%0.333CS..SBendtrans-109.3149.1178.4-60.6178.6000111.5E16 D19 V20 C57 L62 R145 I148 L152E16-L60 HydrophobicContact CB-CD2 4.32Å; E16-L60 HydrophobicContact CG-CD2 3.79Å; E16-L60 HydrophobicContact CG-CG 4.34Å; D19-L60 HydrophobicContact CB-CD1 3.92Å; D19-L60 HydrophobicContact CB-CG 4.15Å; D19-L60 PolarHBondContact OD2-N 3.38Å; V20-L60 HydrophobicContact CG2-CD1 3.81Å; C57-L60 HydrophobicContact CB-CB 3.93Å; C57-L60 VanDerWaalsContact CB-O 3.25Å; C57-L60 WeakPolarHBondContact CB-O 3.46Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 2.92Å; L60-R145 HydrophobicContact CD2-CG 4.21Å; L60-I148 HydrophobicContact CD1-CG2 3.84Å; L60-I148 HydrophobicContact CD2-CB 3.94Å; L60-I148 HydrophobicContact CD2-CG2 3.72Å; L60-I148 HydrophobicContact CG-CG2 4.46Å; L60-L152 HydrophobicContact CD1-CD2 3.71Å
61D96.3Very high97.6Very high125 Ų12563.1 Ų63.167%0.66834%0.341SS*.SBendtrans-86.883169.7175.526.5000108.1S149D61-S149 PolarHBondContact N-OG 2.87Å; D61-S149 PolarHBondContact O-OG 2.9Å; D61-S149 VanDerWaalsContact O-OG 3.05Å
62L98.1Very high97.7Very high23 Ų2362 Ų6212%0.1233%0.33CS..  trans-160.5143.9179.8-172.3139000108.7C57 L60 L152 R153 L156C57-L62 WeakPolarHBondContact CB-O 3.46Å; C57-L62 PolarHBondContact N-O 2.83Å; C57-L62 PolarHBondContact SG-O 3.46Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 2.92Å; L62-L152 HydrophobicContact CD1-CB 4.3Å; L62-L152 HydrophobicContact CD1-CD2 4.14Å; L62-L152 HydrophobicContact CD1-CG 4.04Å; L62-L152 HydrophobicContact CD2-CD2 4.18Å; L62-R153 HydrophobicContact CD1-CB 3.95Å; L62-L156 HydrophobicContact CD1-CD1 4.08Å; L62-L156 HydrophobicContact CD2-CD1 3.86Å
63T98.3Very high97.7Very high77 Ų7759.6 Ų59.647%0.47232%0.317SS..EExtended strand (participates in β ladder)trans-118.7129.3170.7-53.70000107.4D54 V55 D56D54-T63 HydrophobicContact CB-CG2 3.82Å; V55-T63 WeakPolarHBondContact O-CA 3.25Å; D56-T63 WeakPolarHBondContact OD1-CB 3.47Å; D56-T63 VanDerWaalsContact OD1-CG2 3.28Å; D56-T63 WeakPolarHBondContact OD1-CG2 3.26Å; D56-T63 PolarHBondContact OD1-OG1 2.93Å
64Y98.1Very high97.8Very high23 Ų2363.8 Ų63.89%0.0933%0.333CS..EExtended strand (participates in β ladder)trans-114.8161.4175.368.9-88.9000110.7S22 A23 H26 V55 C66S22-Y64 WeakPolarHBondContact CB-OH 3.29Å; A23-Y64 HydrophobicContact CB-CD1 3.64Å; A23-Y64 HydrophobicContact CB-CD2 4.46Å; A23-Y64 HydrophobicContact CB-CE1 4.21Å; A23-Y64 HydrophobicContact CB-CG 3.77Å; H26-Y64 HydrophobicContact CB-CD2 3.96Å; H26-Y64 HydrophobicContact CB-CE2 3.69Å; H26-Y64 AromaticContact CD2-CE2 3.57Å; H26-Y64 AromaticContact CG-CE2 3.88Å; V55-Y64 HydrophobicContact CB-CD1 4.29Å; V55-Y64 HydrophobicContact CB-CD2 4.37Å; V55-Y64 HydrophobicContact CB-CE1 3.86Å; V55-Y64 HydrophobicContact CB-CE2 3.93Å; V55-Y64 HydrophobicContact CG1-CE1 3.75Å; V55-Y64 HydrophobicContact CG1-CE2 4.35Å; V55-Y64 WeakPolarHBondContact CG1-OH 3.31Å; V55-Y64 HydrophobicContact CG2-CE2 4.19Å; V55-Y64 PolarHBondContact N-O 2.88Å; V55-Y64 WeakPolarHBondContact O-CD1 3.44Å; V55-Y64 PolarHBondContact O-N 2.93Å; Y64-C66 HydrophobicContact CD2-CB 4.44Å; Y64-C66 HydrophobicContact CE2-CB 4.08Å
65V97.6Very high97.8Very high46 Ų4661.2 Ų61.228%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-100.6136.4178.1-178.70000109.3L30 I52 C53L30-V65 HydrophobicContact CD2-CG1 4.3Å; I52-V65 HydrophobicContact CB-CG1 3.79Å; I52-V65 HydrophobicContact CD1-CG1 4.05Å; I52-V65 HydrophobicContact CG1-CG1 4.39Å; I52-V65 HydrophobicContact CG2-CG1 4.23Å; C53-V65 WeakPolarHBondContact O-CA 3.3Å
66C97.6Very high97.8Very high2 Ų259.2 Ų59.21%0.01430%0.304CS..EExtended strand (participates in β ladder)trans-129.4165.7170.578.20000111.9H26 I52 C53 V55 Y64H26-C66 HydrophobicContact CB-CB 3.6Å; I52-C66 CarbonylContact C-O 3.5Å; I52-C66 WeakPolarHBondContact CA-O 3.42Å; C53-C66 PolarHBondContact N-O 2.87Å; C53-C66 PolarHBondContact O-N 2.83Å; C53-C66 PolarHBondContact SG-SG 3.02Å; V55-C66 VanDerWaalsContact CG2-SG 3.6Å; Y64-C66 HydrophobicContact CD2-CB 4.44Å; Y64-C66 HydrophobicContact CE2-CB 4.08Å
67I98Very high97.8Very high2 Ų255.7 Ų55.71%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-73129.5172-64.7175000108.4L30 T33 L50 G51 S69 L72 I191L30-I67 HydrophobicContact CD1-CD1 4.39Å; L30-I67 HydrophobicContact CD1-CG1 3.72Å; T33-I67 HydrophobicContact CG2-CD1 3.59Å; T33-I67 WeakPolarHBondContact OG1-CD1 3.3Å; L50-I67 HydrophobicContact CD2-CD1 4.44Å; G51-I67 WeakPolarHBondContact O-CA 3.35Å; I67-S69 PolarHBondContact O-N 3.16Å; I67-L72 HydrophobicContact CB-CD2 4.05Å; I67-L72 HydrophobicContact CD1-CD2 3.98Å; I67-L72 HydrophobicContact CG2-CD2 4.35Å; I67-I191 HydrophobicContact CG2-CG2 4.03Å
68N97Very high97.8Very high101 Ų10159.1 Ų59.154%0.5431%0.312SS..  trans-75.170.1177.8-171.815.6000111.1G51G51-N68 PolarHBondContact O-N 2.94Å
69S97Very high97.8Very high11 Ų1151 Ų518%0.07728%0.279CS..  trans-135.4112.7176.6171.90000109.9I67 Q71 L72 I73 I191I67-S69 PolarHBondContact O-N 3.16Å; S69-Q71 VanDerWaalsContact C-N 3.25Å; S69-Q71 PolarHBondContact O-N 2.63Å; S69-L72 PolarHBondContact O-N 2.86Å; S69-L72 VanDerWaalsContact O-N 3.1Å; S69-I73 WeakPolarHBondContact O-CB 3.45Å; S69-I73 VanDerWaalsContact O-CG1 3.28Å; S69-I73 WeakPolarHBondContact O-CG1 3.29Å; S69-I73 PolarHBondContact O-N 2.99Å; S69-I191 WeakPolarHBondContact OG-CD1 3.42Å
70N96.9Very high97.9Very high124 Ų12449.3 Ų49.366%0.66327%0.268SS*.Hα-helixtrans-55.9-39.9-179.2-68.6-15000112.3L72 I73 E74N70-L72 PolarHBondContact O-N 3.1Å; N70-I73 PolarHBondContact O-N 2.9Å; N70-E74 WeakPolarHBondContact O-CB 3.36Å; N70-E74 PolarHBondContact O-N 2.93Å
71Q97.4Very high97.8Very high90 Ų9051.7 Ų51.742%0.42129%0.285SS..Hα-helixtrans-65.4-39.4179.8-69.3176.7-20.800112.1S69 K75S69-Q71 VanDerWaalsContact C-N 3.25Å; S69-Q71 PolarHBondContact O-N 2.63Å; Q71-K75 VanDerWaalsContact O-CB 3.27Å; Q71-K75 WeakPolarHBondContact O-CB 3.35Å; Q71-K75 PolarHBondContact O-N 2.91Å; Q71-K75 VanDerWaalsContact O-N 3.12Å
72L98.2Very high97.9Very high0 Ų047.1 Ų47.10%026%0.264CS..Hα-helixtrans-73.1-44.7177.8-175.958.2000111.3L29 I67 S69 N70 K75 V76 M188 I191 F196L29-L72 HydrophobicContact CB-CD2 4.5Å; L29-L72 HydrophobicContact CD1-CD1 3.98Å; L29-L72 HydrophobicContact CD1-CG 4.47Å; L29-L72 HydrophobicContact CD2-CD1 4.35Å; I67-L72 HydrophobicContact CB-CD2 4.05Å; I67-L72 HydrophobicContact CD1-CD2 3.98Å; I67-L72 HydrophobicContact CG2-CD2 4.35Å; S69-L72 PolarHBondContact O-N 2.86Å; S69-L72 VanDerWaalsContact O-N 3.1Å; N70-L72 PolarHBondContact O-N 3.1Å; L72-K75 PolarHBondContact O-N 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.25Å; L72-V76 PolarHBondContact O-N 2.93Å; L72-V76 VanDerWaalsContact O-N 3.08Å; L72-M188 HydrophobicContact CB-SD 4.34Å; L72-M188 HydrophobicContact CD1-CE 4.46Å; L72-M188 HydrophobicContact CD1-SD 4.3Å; L72-I191 HydrophobicContact CB-CD1 4.02Å; L72-I191 HydrophobicContact CD2-CD1 4Å; L72-F196 HydrophobicContact CD1-CE1 3.7Å; L72-F196 HydrophobicContact CD1-CZ 3.44Å; L72-F196 VanDerWaalsContact CD1-CZ 3.44Å
73I98.2Very high97.9Very high50 Ų5046 Ų4626%0.25626%0.259SS..Hα-helixtrans-58.6-49.8176.9-68.4166.9000110.5S69 N70 K75 V76 A77S69-I73 WeakPolarHBondContact O-CB 3.45Å; S69-I73 VanDerWaalsContact O-CG1 3.28Å; S69-I73 WeakPolarHBondContact O-CG1 3.29Å; S69-I73 PolarHBondContact O-N 2.99Å; N70-I73 PolarHBondContact O-N 2.9Å; I73-K75 PolarHBondContact O-N 3.21Å; I73-V76 PolarHBondContact O-N 3.39Å; I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.08Å
74E98.1Very high97.8Very high128 Ų12843.7 Ų43.760%0.59824%0.244SC*.Hα-helixtrans-62-44.5178.9-174.7176.4-168.100111.3N70 V76 A77 T78N70-E74 WeakPolarHBondContact O-CB 3.36Å; N70-E74 PolarHBondContact O-N 2.93Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.33Å; E74-A77 PolarHBondContact O-N 3.26Å; E74-T78 WeakPolarHBondContact O-CB 3.47Å; E74-T78 PolarHBondContact O-N 3.03Å; E74-T78 PolarHBondContact O-OG1 3.25Å
75K98.2Very high97.7Very high71 Ų7149.1 Ų49.131%0.30927%0.271SS..Hα-helixtrans-58.2-43.3178-178.3166.6176.2143.10112.5Q71 L72 I73 S79 M188 F196Q71-K75 VanDerWaalsContact O-CB 3.27Å; Q71-K75 WeakPolarHBondContact O-CB 3.35Å; Q71-K75 PolarHBondContact O-N 2.91Å; Q71-K75 VanDerWaalsContact O-N 3.12Å; L72-K75 PolarHBondContact O-N 3.24Å; I73-K75 PolarHBondContact O-N 3.21Å; K75-S79 PolarHBondContact O-N 3.49Å; K75-S79 PolarHBondContact O-OG 3.38Å; K75-M188 HydrophobicContact CD-CE 3.78Å; K75-F196 HydrophobicContact CD-CE2 3.96Å; K75-F196 HydrophobicContact CD-CZ 3.69Å; K75-F196 HydrophobicContact CG-CE2 4.33Å; K75-F196 HydrophobicContact CG-CZ 4.3Å
76V98.6Very high97.6Very high0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-66.7-50.6175.1176.30000110.2F25 L29 L72 I73 E74 T78 S79 V80 I198F25-V76 HydrophobicContact CB-CG1 4.29Å; F25-V76 HydrophobicContact CD2-CG1 4.5Å; L29-V76 HydrophobicContact CD1-CG2 3.47Å; L29-V76 VanDerWaalsContact CD1-CG2 3.47Å; L72-V76 WeakPolarHBondContact O-CG2 3.25Å; L72-V76 PolarHBondContact O-N 2.93Å; L72-V76 VanDerWaalsContact O-N 3.08Å; I73-V76 PolarHBondContact O-N 3.39Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.33Å; V76-T78 VanDerWaalsContact C-N 3.33Å; V76-T78 PolarHBondContact O-N 2.74Å; V76-S79 PolarHBondContact O-N 3.5Å; V76-V80 HydrophobicContact CG1-CG2 4.03Å; V76-V80 VanDerWaalsContact O-CG2 3.3Å; V76-V80 WeakPolarHBondContact O-CG2 3.37Å; V76-V80 PolarHBondContact O-N 3.07Å; V76-I198 HydrophobicContact CB-CD1 4.42Å; V76-I198 HydrophobicContact CG2-CD1 3.98Å
77A98.3Very high97.4Very high43 Ų4347.1 Ų47.136%0.35526%0.259SS..Hα-helixtrans-58.9-41.5-17700000112.6I73 E74 V80 S81I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.08Å; E74-A77 PolarHBondContact O-N 3.26Å; A77-V80 PolarHBondContact O-N 3.49Å; A77-S81 VanDerWaalsContact O-CB 3.29Å; A77-S81 WeakPolarHBondContact O-CB 3.5Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 2.8Å
78T98.4Very high97.2Very high87 Ų8751 Ų5153%0.53428%0.276SS..Hα-helixtrans-61.5-47.8176.5-60.20000111.4E74 V76 S81 A82E74-T78 WeakPolarHBondContact O-CB 3.47Å; E74-T78 PolarHBondContact O-N 3.03Å; E74-T78 PolarHBondContact O-OG1 3.25Å; V76-T78 VanDerWaalsContact C-N 3.33Å; V76-T78 PolarHBondContact O-N 2.74Å; T78-S81 PolarHBondContact O-N 2.99Å; T78-A82 WeakPolarHBondContact O-CB 3.32Å; T78-A82 PolarHBondContact O-N 2.93Å
79S98.4Very high96.9Very high25 Ų2551.9 Ų51.918%0.17527%0.272CS..Hα-helixtrans-66.1-40.2179.5-67.40000112.6K75 V76 F83 I198K75-S79 PolarHBondContact O-N 3.49Å; K75-S79 PolarHBondContact O-OG 3.38Å; V76-S79 PolarHBondContact O-N 3.5Å; S79-F83 WeakPolarHBondContact O-CB 3.48Å; S79-F83 PolarHBondContact O-N 3.41Å; S79-I198 VanDerWaalsContact CB-CG2 3.44Å
80V98.2Very high96.6Very high0 Ų052.1 Ų52.10%027%0.273CS..Hα-helixtrans-65.2-45.8176.5173.80000110.8V21 V76 A77 A82 F83 V84V21-V80 HydrophobicContact CB-CG1 4.44Å; V21-V80 HydrophobicContact CB-CG2 4.22Å; V21-V80 HydrophobicContact CG1-CG2 3.63Å; V76-V80 HydrophobicContact CG1-CG2 4.03Å; V76-V80 VanDerWaalsContact O-CG2 3.3Å; V76-V80 WeakPolarHBondContact O-CG2 3.37Å; V76-V80 PolarHBondContact O-N 3.07Å; A77-V80 PolarHBondContact O-N 3.49Å; V80-A82 PolarHBondContact O-N 3.26Å; V80-F83 WeakPolarHBondContact O-CB 3.39Å; V80-F83 PolarHBondContact O-N 3.23Å; V80-F83 VanDerWaalsContact O-N 3.16Å; V80-V84 HydrophobicContact CG1-CG2 4.39Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 2.95Å
81S97.8Very high96.3Very high58 Ų5848.4 Ų48.441%0.40626%0.256SS..Hα-helixtrans-60.5-46178.7-56.90000111.1A77 T78 F83 V84 E85A77-S81 VanDerWaalsContact O-CB 3.29Å; A77-S81 WeakPolarHBondContact O-CB 3.5Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 2.8Å; T78-S81 PolarHBondContact O-N 2.99Å; S81-F83 VanDerWaalsContact C-N 3.29Å; S81-F83 PolarHBondContact O-N 3Å; S81-V84 PolarHBondContact O-N 2.88Å; S81-E85 WeakPolarHBondContact O-CG 3.4Å; S81-E85 PolarHBondContact O-N 3.46Å
82A97.4Very high95.8Very high28 Ų2848.4 Ų48.423%0.23127%0.265CS..Hα-helixtrans-61.3-36.7176.800000112.6T78 V80 A86 Y200T78-A82 WeakPolarHBondContact O-CB 3.32Å; T78-A82 PolarHBondContact O-N 2.93Å; V80-A82 PolarHBondContact O-N 3.26Å; A82-A86 WeakPolarHBondContact O-CB 3.38Å; A82-A86 PolarHBondContact O-N 2.84Å; A82-A86 VanDerWaalsContact O-N 3.08Å; A82-Y200 HydrophobicContact CB-CE1 3.82Å; A82-Y200 PolarHBondContact O-OH 3.28Å
83F97.7Very high95.1Very high0 Ų052.2 Ų52.20%029%0.292CS..Hα-helixtrans-68.7-44.2175.1172.3-117.9000112.6I17 V21 S79 V80 S81 E85 A86 M87 I104 V131 Y200I17-F83 HydrophobicContact CG2-CD1 4.02Å; I17-F83 HydrophobicContact CG2-CE1 3.8Å; V21-F83 HydrophobicContact CG2-CE1 4.48Å; S79-F83 WeakPolarHBondContact O-CB 3.48Å; S79-F83 PolarHBondContact O-N 3.41Å; V80-F83 WeakPolarHBondContact O-CB 3.39Å; V80-F83 PolarHBondContact O-N 3.23Å; V80-F83 VanDerWaalsContact O-N 3.16Å; S81-F83 VanDerWaalsContact C-N 3.29Å; S81-F83 PolarHBondContact O-N 3Å; F83-E85 VanDerWaalsContact C-N 3.35Å; F83-E85 PolarHBondContact O-N 3.44Å; F83-A86 PolarHBondContact O-N 3.33Å; F83-M87 HydrophobicContact CD2-CG 4.12Å; F83-M87 HydrophobicContact CE1-CG 4.25Å; F83-M87 HydrophobicContact CE2-CG 3.67Å; F83-M87 HydrophobicContact CE2-SD 4.01Å; F83-M87 HydrophobicContact CZ-CG 3.75Å; F83-M87 HydrophobicContact CZ-SD 4.11Å; F83-M87 WeakPolarHBondContact O-CG 3.45Å; F83-M87 PolarHBondContact O-N 2.91Å; F83-I104 HydrophobicContact CB-CD1 3.81Å; F83-I104 HydrophobicContact CD1-CB 4.02Å; F83-I104 HydrophobicContact CD1-CD1 4.19Å; F83-I104 HydrophobicContact CD1-CG2 3.94Å; F83-I104 HydrophobicContact CD2-CB 4.23Å; F83-I104 HydrophobicContact CE1-CB 4.16Å; F83-I104 HydrophobicContact CE1-CG2 3.85Å; F83-I104 HydrophobicContact CE2-CB 4.35Å; F83-I104 HydrophobicContact CG-CB 4.04Å; F83-I104 HydrophobicContact CG-CD1 4.06Å; F83-I104 HydrophobicContact CG-CG2 4.47Å; F83-I104 HydrophobicContact CZ-CB 4.32Å; F83-I104 HydrophobicContact CZ-CG2 4.31Å; F83-V131 HydrophobicContact CE1-CB 4.29Å; F83-V131 HydrophobicContact CE1-CG2 3.86Å; F83-V131 HydrophobicContact CZ-CB 4.07Å; F83-V131 HydrophobicContact CZ-CG2 4.03Å; F83-Y200 HydrophobicContact CB-CD1 3.84Å; F83-Y200 HydrophobicContact CB-CD2 4.38Å; F83-Y200 HydrophobicContact CB-CE1 4.31Å; F83-Y200 HydrophobicContact CB-CG 3.88Å; F83-Y200 VanDerWaalsContact CD2-CB 3.49Å; F83-Y200 AromaticContact CD2-CD2 3.81Å; F83-Y200 HydrophobicContact CD2-CD2 3.81Å; F83-Y200 AromaticContact CD2-CG 3.71Å; F83-Y200 HydrophobicContact CD2-CG 3.71Å; F83-Y200 HydrophobicContact CG-CG 4.22Å
84V96.8Very high94.1Very high29 Ų2952.1 Ų52.118%0.17630%0.296CS..Hα-helixtrans-59.8-461761730000110.6I17 V80 S81 A86 M87 H88I17-V84 HydrophobicContact CB-CG2 4Å; I17-V84 HydrophobicContact CG2-CG2 3.69Å; V80-V84 HydrophobicContact CG1-CG2 4.39Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 2.95Å; S81-V84 PolarHBondContact O-N 2.88Å; V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 3.48Å; V84-M87 PolarHBondContact O-N 3.43Å; V84-H88 WeakPolarHBondContact O-CB 3.34Å; V84-H88 PolarHBondContact O-N 3.05Å
85E96Very high92.7Very high137 Ų13753.6 Ų53.664%0.6431%0.308SS*.Hα-helixtrans-59.6-40.6175.7-73.4175.7-174.100112.4S81 F83 H88 R89S81-E85 WeakPolarHBondContact O-CG 3.4Å; S81-E85 PolarHBondContact O-N 3.46Å; F83-E85 VanDerWaalsContact C-N 3.35Å; F83-E85 PolarHBondContact O-N 3.44Å; E85-H88 PolarHBondContact O-N 3.03Å; E85-R89 WeakPolarHBondContact O-CB 3.25Å; E85-R89 PolarHBondContact O-N 2.94Å
86A95.1Very high90.9Very high4 Ų456.2 Ų56.23%0.03333%0.325CS..Hα-helixtrans-66.5-42177.200000112.1A82 F83 V84 R89 D90 Y200 A202A82-A86 WeakPolarHBondContact O-CB 3.38Å; A82-A86 PolarHBondContact O-N 2.84Å; A82-A86 VanDerWaalsContact O-N 3.08Å; F83-A86 PolarHBondContact O-N 3.33Å; V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 3.48Å; A86-R89 PolarHBondContact O-N 3.36Å; A86-D90 PolarHBondContact O-N 3.42Å; A86-Y200 HydrophobicContact CB-CD2 4.31Å; A86-Y200 HydrophobicContact CB-CE2 3.58Å; A86-A202 HydrophobicContact CB-CB 3.66Å
87M93.7Very high89.2Confident1 Ų165 Ų651%0.00537%0.372CS..Hα-helixtrans-63.3-43.2174.4-73.2-68.3-72.500111.9F83 V84 R89 D90 S91 V100 G102 V131 L133F83-M87 HydrophobicContact CD2-CG 4.12Å; F83-M87 HydrophobicContact CE1-CG 4.25Å; F83-M87 HydrophobicContact CE2-CG 3.67Å; F83-M87 HydrophobicContact CE2-SD 4.01Å; F83-M87 HydrophobicContact CZ-CG 3.75Å; F83-M87 HydrophobicContact CZ-SD 4.11Å; F83-M87 WeakPolarHBondContact O-CG 3.45Å; F83-M87 PolarHBondContact O-N 2.91Å; V84-M87 PolarHBondContact O-N 3.43Å; M87-R89 PolarHBondContact O-N 2.79Å; M87-D90 PolarHBondContact O-N 3.05Å; M87-S91 PolarHBondContact O-N 3Å; M87-V100 HydrophobicContact CE-CG1 3.93Å; M87-V100 HydrophobicContact SD-CG1 4.28Å; M87-G102 VanDerWaalsContact SD-CA 3.56Å; M87-V131 HydrophobicContact CE-CB 4.36Å; M87-V131 HydrophobicContact CE-CG1 3.98Å; M87-L133 HydrophobicContact CE-CB 4.3Å
88H93.3Very high87.9Confident83 Ų8364.9 Ų64.938%0.38438%0.376SS..Hα-helixtrans-60.2-45.4176-178.280.5000111.4E14 V84 E85 D90 S91 C92E14-H88 VanDerWaalsContact CD-ND1 3.34Å; E14-H88 IonicContact OE1-CE1 3.71Å; E14-H88 IonicContact OE1-CG 2.84Å; E14-H88 IonicContact OE1-ND1 3.19Å; E14-H88 PolarHBondContact OE1-ND1 3.21Å; E14-H88 IonicContact OE2-CE1 2.79Å; E14-H88 IonicContact OE2-CG 2.94Å; E14-H88 IonicContact OE2-ND1 2.7Å; E14-H88 PolarHBondContact OE2-ND1 3.26Å; V84-H88 WeakPolarHBondContact O-CB 3.34Å; V84-H88 PolarHBondContact O-N 3.05Å; E85-H88 PolarHBondContact O-N 3.03Å; H88-D90 VanDerWaalsContact C-N 3.35Å; H88-D90 PolarHBondContact O-N 2.68Å; H88-S91 WeakPolarHBondContact O-CB 3.33Å; H88-S91 PolarHBondContact O-N 3.49Å; H88-C92 PolarHBondContact O-N 3.02Å
89R92.1Very high87.3Confident121 Ų12164.9 Ų64.946%0.45737%0.369SS..Hα-helixtrans-60.4-42.8175.6-177.2177.667.6-156.1-0.9112.3E85 A86 M87 S91 C92 S93 S204E85-R89 WeakPolarHBondContact O-CB 3.25Å; E85-R89 PolarHBondContact O-N 2.94Å; A86-R89 PolarHBondContact O-N 3.36Å; M87-R89 PolarHBondContact O-N 2.79Å; R89-S91 VanDerWaalsContact C-N 3.32Å; R89-C92 PolarHBondContact O-N 3.45Å; R89-S93 WeakPolarHBondContact O-CB 3.32Å; R89-S93 PolarHBondContact O-N 3.21Å; R89-S93 PolarHBondContact O-OG 3.3Å; R89-S204 PolarHBondContact NE-OG 2.83Å; R89-S204 PolarHBondContact NH2-OG 2.87Å
90D90.3Very high86.9Confident15 Ų1564.4 Ų64.48%0.0837%0.365CS..Hα-helixtrans-64.9-38.1178.1-74.92.2000111.2A86 M87 H88 S93 S94 V100 N203 S204A86-D90 PolarHBondContact O-N 3.42Å; M87-D90 PolarHBondContact O-N 3.05Å; H88-D90 VanDerWaalsContact C-N 3.35Å; H88-D90 PolarHBondContact O-N 2.68Å; D90-S93 PolarHBondContact O-N 2.81Å; D90-S94 PolarHBondContact O-N 2.77Å; D90-S94 VanDerWaalsContact O-N 3.13Å; D90-V100 HydrophobicContact CB-CG1 3.91Å; D90-N203 PolarHBondContact OD2-N 2.92Å; D90-S204 WeakPolarHBondContact OD1-CB 3.49Å; D90-S204 PolarHBondContact OD1-N 3.44Å; D90-S204 PolarHBondContact OD1-OG 3.12Å; D90-S204 PolarHBondContact OD2-N 3.15Å
91S89.5Confident86.7Confident46 Ų4671.1 Ų71.132%0.32239%0.391SS..Hα-helixtrans-63.4-47.7174.1-172.80000112.8M87 H88 R89 S93 S94M87-S91 PolarHBondContact O-N 3Å; H88-S91 WeakPolarHBondContact O-CB 3.33Å; H88-S91 PolarHBondContact O-N 3.49Å; R89-S91 VanDerWaalsContact C-N 3.32Å; S91-S93 VanDerWaalsContact C-N 3.26Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-S94 PolarHBondContact O-N 3.04Å
92C87.6Confident86.6Confident90 Ų9068.8 Ų68.861%0.60838%0.376SS*.Hα-helixtrans-66.3-27177.6-71.60000113.3H88 R89H88-C92 PolarHBondContact O-N 3.02Å; R89-C92 PolarHBondContact O-N 3.45Å
93S84.4Confident86.6Confident81 Ų8168.1 Ų68.157%0.56637%0.371SS*.Hα-helixtrans-87.2-14.7-179.4-540000113.3R89 D90 S91 N95R89-S93 WeakPolarHBondContact O-CB 3.32Å; R89-S93 PolarHBondContact O-N 3.21Å; R89-S93 PolarHBondContact O-OG 3.3Å; D90-S93 PolarHBondContact O-N 2.81Å; S91-S93 VanDerWaalsContact C-N 3.26Å; S91-S93 PolarHBondContact O-N 3.48Å; S93-N95 PolarHBondContact O-N 3.27Å; S93-N95 VanDerWaalsContact O-N 3.09Å
94S76Confident86.7Confident47 Ų4768.1 Ų68.133%0.32937%0.371SS..  trans-77.497.4-179.4-171.70000110.6D90 S91 N96D90-S94 PolarHBondContact O-N 2.77Å; D90-S94 VanDerWaalsContact O-N 3.13Å; S91-S94 PolarHBondContact O-N 3.04Å; S94-N96 PolarHBondContact O-N 3.44Å; S94-N96 PolarHBondContact OG-O 2.82Å
95N68.4Low86.7Confident159 Ų15967.8 Ų67.885%0.8537%0.368SS*.  trans-66.1-16.8169.3-73.7-17.8000113S93S93-N95 PolarHBondContact O-N 3.27Å; S93-N95 VanDerWaalsContact O-N 3.09Å
96N60.4Low86.9Confident127 Ų12761.2 Ų61.268%0.67934%0.337SS*.SBendtrans-91144.6176.3-67.1-22000108.6S94 G98S94-N96 PolarHBondContact O-N 3.44Å; S94-N96 PolarHBondContact OG-O 2.82Å; N96-G98 PolarHBondContact O-N 2.98Å
97N64.4Low87Confident183 Ų18362 Ų6298%0.97934%0.34SS*.  trans-62.525.1162.8-71.4-1.1000112.6
98G70.9Confident87.2Confident42 Ų4262 Ų6243%0.43334%0.34SS..PPolyproline II helixtrans-70.1142.1175.600000110.2N96 V100N96-G98 PolarHBondContact O-N 2.98Å; G98-V100 PolarHBondContact O-N 2.87Å
99E84.2Confident87.3Confident87 Ų8759.3 Ų59.341%0.40733%0.328SS..PPolyproline II helixtrans-66.1126.8174.4-171.7177.8-125.900110.1R101 I132E99-R101 HydrophobicContact CG-CG 4.41Å; E99-R101 IonicContact OE2-CZ 3.21Å; E99-R101 IonicContact OE2-NE 2.88Å; E99-R101 PolarHBondContact OE2-NE 2.88Å; E99-R101 IonicContact OE2-NH2 2.69Å; E99-R101 PolarHBondContact OE2-NH2 2.7Å; E99-I132 HydrophobicContact CG-CG2 3.4Å; E99-I132 VanDerWaalsContact CG-CG2 3.4Å; E99-I132 WeakPolarHBondContact OE1-CG2 3.11Å
100V91.7Very high87.3Confident14 Ų1454.1 Ų54.19%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-81.9128.2177.4-177.70000108.2M87 D90 G98 L133M87-V100 HydrophobicContact CE-CG1 3.93Å; M87-V100 HydrophobicContact SD-CG1 4.28Å; D90-V100 HydrophobicContact CB-CG1 3.91Å; G98-V100 PolarHBondContact O-N 2.87Å; V100-L133 HydrophobicContact CB-CB 4.01Å; V100-L133 HydrophobicContact CB-CD2 4.3Å; V100-L133 PolarHBondContact O-N 2.72Å
101R93.8Very high87.2Confident141 Ų14156.4 Ų56.453%0.53232%0.32SS..EExtended strand (participates in β ladder)trans-128.7143.7-177.9-61-176.5176.9-171.7-1.6110.2E99 V131 I132E99-R101 HydrophobicContact CG-CG 4.41Å; E99-R101 IonicContact OE2-CZ 3.21Å; E99-R101 IonicContact OE2-NE 2.88Å; E99-R101 PolarHBondContact OE2-NE 2.88Å; E99-R101 IonicContact OE2-NH2 2.69Å; E99-R101 PolarHBondContact OE2-NH2 2.7Å; R101-V131 WeakPolarHBondContact CA-O 3.49Å; R101-I132 HydrophobicContact CG-CG1 4.32Å
102G95.5Very high86.7Confident10 Ų1059.1 Ų59.110%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-151.8167.1172.800000111.2M87 V131M87-G102 VanDerWaalsContact SD-CA 3.56Å; G102-V131 PolarHBondContact N-O 2.83Å; G102-V131 PolarHBondContact O-N 3.42Å
103A97.5Very high85.8Confident14 Ų1461.2 Ų61.212%0.11632%0.322CS..EExtended strand (participates in β ladder)trans-136.913817500000110.1I128 V129 Y200 L201A103-I128 HydrophobicContact CB-CG2 4.24Å; A103-V129 WeakPolarHBondContact CA-O 3.37Å; A103-Y200 CarbonylContact O-C 3.59Å; A103-Y200 VanDerWaalsContact O-CA 3.22Å; A103-Y200 WeakPolarHBondContact O-CA 3.44Å; A103-Y200 WeakPolarHBondContact O-CB 3.08Å; A103-L201 PolarHBondContact N-O 2.72Å; A103-L201 PolarHBondContact O-N 3.26Å
104I98.4Very high84.8Confident0 Ų061.3 Ų61.30%034%0.336CS..EExtended strand (participates in β ladder)trans-121.5136.8171.2-172.8170.8000109.5V21 F25 F83 V129 I198V21-I104 HydrophobicContact CB-CG2 4.49Å; V21-I104 HydrophobicContact CG1-CD1 4.16Å; V21-I104 HydrophobicContact CG1-CG2 3.72Å; V21-I104 HydrophobicContact CG2-CG2 3.83Å; F25-I104 HydrophobicContact CE2-CD1 3.88Å; F25-I104 HydrophobicContact CE2-CG1 3.85Å; F25-I104 HydrophobicContact CE2-CG2 4.4Å; F25-I104 HydrophobicContact CZ-CB 4.45Å; F25-I104 HydrophobicContact CZ-CD1 4.42Å; F25-I104 HydrophobicContact CZ-CG1 3.94Å; F25-I104 HydrophobicContact CZ-CG2 4.01Å; F83-I104 HydrophobicContact CB-CD1 3.81Å; F83-I104 HydrophobicContact CD1-CB 4.02Å; F83-I104 HydrophobicContact CD1-CD1 4.19Å; F83-I104 HydrophobicContact CD1-CG2 3.94Å; F83-I104 HydrophobicContact CD2-CB 4.23Å; F83-I104 HydrophobicContact CE1-CB 4.16Å; F83-I104 HydrophobicContact CE1-CG2 3.85Å; F83-I104 HydrophobicContact CE2-CB 4.35Å; F83-I104 HydrophobicContact CG-CB 4.04Å; F83-I104 HydrophobicContact CG-CD1 4.06Å; F83-I104 HydrophobicContact CG-CG2 4.47Å; F83-I104 HydrophobicContact CZ-CB 4.32Å; F83-I104 HydrophobicContact CZ-CG2 4.31Å; I104-V129 HydrophobicContact CG2-CB 3.94Å; I104-V129 PolarHBondContact N-O 3.26Å; I104-V129 VanDerWaalsContact N-O 3.1Å; I104-V129 PolarHBondContact O-N 3.07Å; I104-I198 HydrophobicContact CD1-CG2 3.7Å; I104-I198 HydrophobicContact CG1-CG2 3.81Å
105N98.4Very high83.8Confident21 Ų2161.8 Ų61.811%0.11234%0.336CS..EExtended strand (participates in β ladder)trans-120.6133-169.1-52.5-33.4000109.6E107 W127 I128 I198 N199N105-E107 HydrophobicContact CB-CG 4.09Å; N105-W127 CarbonylContact C-O 3.56Å; N105-W127 VanDerWaalsContact CA-O 3.29Å; N105-W127 WeakPolarHBondContact CA-O 3.48Å; N105-I128 WeakPolarHBondContact OD1-CG2 3.3Å; N105-I198 VanDerWaalsContact O-CA 3.25Å; N105-I198 WeakPolarHBondContact O-CA 3.18Å; N105-N199 PolarHBondContact N-O 2.67Å; N105-N199 PolarHBondContact O-N 3.27Å
106L98.6Very high83.3Confident0 Ų066.2 Ų66.20%034%0.341CS..EExtended strand (participates in β ladder)trans-103.8116.8163172.661.6000108.2F25 I28 L29 F108 R126 W127 F196 I198F25-L106 HydrophobicContact CB-CD2 4.34Å; F25-L106 HydrophobicContact CD1-CB 3.86Å; F25-L106 HydrophobicContact CD1-CD2 4.12Å; F25-L106 HydrophobicContact CD2-CB 4.46Å; F25-L106 HydrophobicContact CE1-CB 3.62Å; F25-L106 HydrophobicContact CE2-CB 4.27Å; F25-L106 HydrophobicContact CG-CB 4.28Å; F25-L106 HydrophobicContact CG-CD2 4.24Å; F25-L106 HydrophobicContact CZ-CB 3.84Å; I28-L106 HydrophobicContact CB-CD2 3.94Å; I28-L106 HydrophobicContact CD1-CD2 4.43Å; I28-L106 HydrophobicContact CG2-CD2 3.62Å; L29-L106 HydrophobicContact CD2-CD1 4.3Å; L29-L106 HydrophobicContact CD2-CD2 4.38Å; L29-L106 HydrophobicContact CG-CD2 4.05Å; L106-F108 HydrophobicContact CD1-CZ 4.33Å; L106-F108 HydrophobicContact CD2-CE2 4.14Å; L106-F108 HydrophobicContact CD2-CZ 4Å; L106-F108 HydrophobicContact CG-CE2 4.03Å; L106-F108 HydrophobicContact CG-CZ 4.09Å; L106-R126 WeakPolarHBondContact O-CA 3.31Å; L106-W127 HydrophobicContact CB-CB 4.43Å; L106-W127 PolarHBondContact N-O 3.46Å; L106-W127 PolarHBondContact O-N 3.29Å; L106-F196 HydrophobicContact CD1-CB 4.03Å; L106-F196 HydrophobicContact CD1-CD2 3.48Å; L106-F196 VanDerWaalsContact CD1-CD2 3.48Å; L106-F196 HydrophobicContact CD1-CE2 4.25Å; L106-F196 HydrophobicContact CD1-CG 4.02Å; L106-I198 HydrophobicContact CD1-CD1 4.45Å; L106-I198 HydrophobicContact CD1-CG1 3.82Å
107E97.8Very high83.1Confident21 Ų2167 Ų6710%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-121.6122.2-171.2-63.5-177.9123.300111N105 T123 E125 R126 F196 N197 N199N105-E107 HydrophobicContact CB-CG 4.09Å; E107-T123 HydrophobicContact CB-CG2 3.95Å; E107-T123 HydrophobicContact CG-CG2 4.33Å; E107-E125 WeakPolarHBondContact CA-O 3.33Å; E107-R126 HydrophobicContact CG-CB 4.39Å; E107-R126 HydrophobicContact CG-CG 4.06Å; E107-R126 IonicContact OE1-CZ 3.96Å; E107-R126 IonicContact OE1-NE 3.13Å; E107-R126 PolarHBondContact OE1-NE 3.36Å; E107-R126 IonicContact OE1-NH2 2.99Å; E107-R126 PolarHBondContact OE1-NH2 3.49Å; E107-F196 CarbonylContact O-C 3.42Å; E107-F196 WeakPolarHBondContact O-CA 3.21Å; E107-F196 WeakPolarHBondContact O-CB 3.25Å; E107-N197 PolarHBondContact N-O 2.9Å; E107-N197 PolarHBondContact O-N 2.81Å; E107-N199 PolarHBondContact OE2-ND2 2.75Å
108F97.8Very high82.6Confident0 Ų059.9 Ų59.90%032%0.315CS..EExtended strand (participates in β ladder)trans-94.9134.1172.8-60.4-82.5000110.7I28 L29 R32 L106 T123 W124 E125 R195 F196I28-F108 HydrophobicContact CG2-CE2 3.71Å; I28-F108 HydrophobicContact CG2-CZ 3.92Å; L29-F108 HydrophobicContact CD2-CE1 4.16Å; L29-F108 HydrophobicContact CD2-CZ 4.15Å; R32-F108 HydrophobicContact CB-CD1 4.19Å; R32-F108 HydrophobicContact CB-CE1 3.36Å; R32-F108 HydrophobicContact CB-CE2 4.24Å; R32-F108 HydrophobicContact CB-CZ 3.4Å; R32-F108 HydrophobicContact CG-CD1 4.45Å; R32-F108 HydrophobicContact CG-CD2 4.43Å; R32-F108 HydrophobicContact CG-CE1 3.83Å; R32-F108 HydrophobicContact CG-CE2 3.8Å; R32-F108 HydrophobicContact CG-CZ 3.47Å; R32-F108 VanDerWaalsContact CG-CZ 3.47Å; L106-F108 HydrophobicContact CD1-CZ 4.33Å; L106-F108 HydrophobicContact CD2-CE2 4.14Å; L106-F108 HydrophobicContact CD2-CZ 4Å; L106-F108 HydrophobicContact CG-CE2 4.03Å; L106-F108 HydrophobicContact CG-CZ 4.09Å; F108-T123 CarbonylContact O-C 3.52Å; F108-T123 WeakPolarHBondContact O-CA 3.27Å; F108-T123 WeakPolarHBondContact O-CG2 3.41Å; F108-W124 VanDerWaalsContact C-CD1 3.49Å; F108-W124 HydrophobicContact CB-CD2 4.16Å; F108-W124 VanDerWaalsContact CB-CE2 3.41Å; F108-W124 HydrophobicContact CB-CH2 4.19Å; F108-W124 HydrophobicContact CB-CZ2 3.44Å; F108-W124 VanDerWaalsContact CB-CZ2 3.44Å; F108-W124 HydrophobicContact CD1-CZ2 4.49Å; F108-W124 HydrophobicContact CG-CH2 4.48Å; F108-W124 HydrophobicContact CG-CZ2 4.02Å; F108-W124 PolarHBondContact O-N 3.5Å; F108-E125 HydrophobicContact CB-CB 4.31Å; F108-E125 HydrophobicContact CD2-CB 4.15Å; F108-E125 HydrophobicContact CD2-CG 4.07Å; F108-E125 PolarHBondContact N-O 3.46Å; F108-R195 CarbonylContact C-O 3.55Å; F108-R195 WeakPolarHBondContact CA-O 3.39Å; F108-F196 HydrophobicContact CD1-CB 3.66Å; F108-F196 HydrophobicContact CE1-CB 3.72Å; F108-F196 HydrophobicContact CE1-CG 4.4Å; F108-F196 HydrophobicContact CG-CB 4.44Å
109M95.1Very high82.1Confident26 Ų2662.4 Ų62.413%0.12832%0.323CS..EExtended strand (participates in β ladder)trans-130.2154.9-166.5-60178-66.800113A121 S122 R195 N197M109-A121 HydrophobicContact CB-CB 4.48Å; M109-A121 HydrophobicContact SD-CB 4.13Å; M109-S122 CarbonylContact C-O 3.59Å; M109-S122 WeakPolarHBondContact CA-O 3.24Å; M109-R195 PolarHBondContact N-O 3.03Å; M109-N197 HydrophobicContact CE-CB 3.55Å; M109-N197 HydrophobicContact SD-CB 4.43Å
110V93.4Very high81.6Confident13 Ų1363.5 Ų63.58%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-111.9119.6167.4-175.20000108.5M1 R112 A121 S122 W124 I183M1-V110 HydrophobicContact SD-CG2 4.48Å; V110-R112 PolarHBondContact O-N 3.16Å; V110-A121 WeakPolarHBondContact O-CA 3.37Å; V110-S122 PolarHBondContact N-O 2.91Å; V110-S122 PolarHBondContact O-N 3.07Å; V110-W124 HydrophobicContact CG2-CG 4.29Å; V110-I183 HydrophobicContact CB-CG2 4.19Å; V110-I183 HydrophobicContact CG1-CG2 3.77Å; V110-I183 HydrophobicContact CG2-CG2 3.81Å
111H88.4Confident81.3Confident63 Ų6365.2 Ų65.229%0.29234%0.344SS..EExtended strand (participates in β ladder)trans-85.299.3174.9-72.4-167.4000110K113 H182H111-K113 PolarHBondContact O-N 3.01Å; H111-H182 PolarHBondContact N-O 3.39Å; H111-H182 VanDerWaalsContact O-CB 3.3Å; H111-H182 WeakPolarHBondContact O-CB 3.48Å
112R78.7Confident81.2Confident103 Ų10359.7 Ų59.739%0.38933%0.327SS..  trans-68.8128.5178.8-67.7-174.3179.81348.4111V110 E120 S122V110-R112 PolarHBondContact O-N 3.16Å; R112-E120 PolarHBondContact N-O 3.36Å; R112-S122 PolarHBondContact NH1-OG 3.34Å; R112-S122 PolarHBondContact NH2-OG 3.45Å
113K68.5Low81.2Confident134 Ų13460.6 Ų60.658%0.58333%0.33SS*.SBendtrans-79140.6166-66.8179176.3175.10109H111 A178 E181H111-K113 PolarHBondContact O-N 3.01Å; K113-A178 PolarHBondContact NZ-O 2.87Å; K113-E181 VanDerWaalsContact CE-OE1 3.24Å; K113-E181 WeakPolarHBondContact CE-OE1 3.33Å; K113-E181 IonicContact NZ-OE1 3.26Å; K113-E181 PolarHBondContact NZ-OE1 3.46Å
114G62.9Low81.1Confident83 Ų8360.1 Ų60.186%0.85633%0.326SS*.  trans103.715.6164.600000118.1
115V55.3Low81Confident56 Ų5660.1 Ų60.134%0.33933%0.326SS..  trans-95.1128.3168-170.50000109.1L117 G118V115-L117 HydrophobicContact CG1-CB 4.39Å; V115-L117 PolarHBondContact O-N 2.97Å; V115-G118 PolarHBondContact O-N 2.97Å
116W56.9Low81Confident253 Ų25362 Ų6296%0.95833%0.331SS*.THydrogen-bonded Turntrans-55.6-15.7179.1-178.1-82.7000113.8
117L56.1Low81Confident143 Ų14362.2 Ų62.275%0.74933%0.332SS*.THydrogen-bonded Turntrans-100.613.4179.5-63.9174.1000113.9V115V115-L117 HydrophobicContact CG1-CB 4.39Å; V115-L117 PolarHBondContact O-N 2.97Å
118G55.3Low81Confident34 Ų3462.7 Ų62.735%0.35134%0.335SS..SBendtrans95.6172.2-176.400000112.5V115 E120V115-G118 PolarHBondContact O-N 2.97Å; G118-E120 PolarHBondContact O-N 3.08Å
119P60.9Low81Confident95 Ų9562.7 Ų62.762%0.61734%0.335SS*.  trans-65107.8-178.925-31.2000110.4A121P119-A121 PolarHBondContact O-N 3.49Å; P119-A121 VanDerWaalsContact O-N 3.13Å
120E72.9Confident81.2Confident110 Ų11064 Ų6451%0.51434%0.342SS..  trans-72.6102.5164.1-72.6-173.917100108R112 G118R112-E120 PolarHBondContact N-O 3.36Å; G118-E120 PolarHBondContact O-N 3.08Å
121A85.1Confident81.3Confident49 Ų4963.5 Ų63.541%0.40534%0.339SS..EExtended strand (participates in β ladder)trans-68.7129.5170.400000109.3M109 V110 P119M109-A121 HydrophobicContact CB-CB 4.48Å; M109-A121 HydrophobicContact SD-CB 4.13Å; V110-A121 WeakPolarHBondContact O-CA 3.37Å; P119-A121 PolarHBondContact O-N 3.49Å; P119-A121 VanDerWaalsContact O-N 3.13Å
122S92Very high81.7Confident25 Ų2561.6 Ų61.618%0.17533%0.331CS..EExtended strand (participates in β ladder)trans-110.9117.6173.9-64.30000109.7M109 V110 R112 W124M109-S122 CarbonylContact C-O 3.59Å; M109-S122 WeakPolarHBondContact CA-O 3.24Å; V110-S122 PolarHBondContact N-O 2.91Å; V110-S122 PolarHBondContact O-N 3.07Å; R112-S122 PolarHBondContact NH1-OG 3.34Å; R112-S122 PolarHBondContact NH2-OG 3.45Å; S122-W124 PolarHBondContact O-N 3.15Å
123T94.7Very high82.4Confident29 Ų2957.6 Ų57.618%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-66.9127.3171.1-48.90000109.6E107 F108 E125 R126E107-T123 HydrophobicContact CB-CG2 3.95Å; E107-T123 HydrophobicContact CG-CG2 4.33Å; F108-T123 CarbonylContact O-C 3.52Å; F108-T123 WeakPolarHBondContact O-CA 3.27Å; F108-T123 WeakPolarHBondContact O-CG2 3.41Å; T123-E125 VanDerWaalsContact CG2-O 3.31Å; T123-E125 WeakPolarHBondContact CG2-O 3.09Å; T123-R126 HydrophobicContact CG2-CB 4.24Å
124W95.7Very high83.5Confident4 Ų455.3 Ų55.32%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-108.9-20.1176.862.1-91.1000112.4R4 F108 V110 S122 Y169 A170 P171 Y194R4-W124 PolarHBondContact N-O 3.47Å; F108-W124 VanDerWaalsContact C-CD1 3.49Å; F108-W124 HydrophobicContact CB-CD2 4.16Å; F108-W124 VanDerWaalsContact CB-CE2 3.41Å; F108-W124 HydrophobicContact CB-CH2 4.19Å; F108-W124 HydrophobicContact CB-CZ2 3.44Å; F108-W124 VanDerWaalsContact CB-CZ2 3.44Å; F108-W124 HydrophobicContact CD1-CZ2 4.49Å; F108-W124 HydrophobicContact CG-CH2 4.48Å; F108-W124 HydrophobicContact CG-CZ2 4.02Å; F108-W124 PolarHBondContact O-N 3.5Å; V110-W124 HydrophobicContact CG2-CG 4.29Å; S122-W124 PolarHBondContact O-N 3.15Å; W124-Y169 HydrophobicContact CD2-CE1 4.34Å; W124-Y169 AromaticContact CE3-CD1 3.76Å; W124-Y169 HydrophobicContact CE3-CD1 3.76Å; W124-Y169 AromaticContact CE3-CE1 3.75Å; W124-Y169 HydrophobicContact CE3-CE1 3.75Å; W124-Y169 HydrophobicContact CZ3-CD1 4Å; W124-Y169 HydrophobicContact CZ3-CE1 4.28Å; W124-Y169 WeakPolarHBondContact CZ3-O 3.46Å; W124-A170 HydrophobicContact CH2-CB 4.34Å; W124-P171 HydrophobicContact CD2-CG 3.89Å; W124-P171 HydrophobicContact CE3-CG 4.41Å; W124-P171 HydrophobicContact CG-CG 4.21Å; W124-P171 VanDerWaalsContact CZ2-CD 3.46Å; W124-P171 HydrophobicContact CZ2-CG 4.04Å; W124-Y194 AromaticContact CZ2-CD1 3.97Å; W124-Y194 HydrophobicContact CZ2-CD1 3.97Å; W124-Y194 HydrophobicContact CZ2-CG 4.04Å
125E97Very high84.9Confident1 Ų158.3 Ų58.31%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-148.1139.8174.9177.3177-157.200110.5R4 Y6 R32 E107 F108 T123 W127R4-E125 CarbonylContact O-C 3.47Å; R4-E125 VanDerWaalsContact O-CA 3.3Å; R4-E125 WeakPolarHBondContact O-CA 3.44Å; Y6-E125 HydrophobicContact CE2-CG 4.1Å; R32-E125 IonicContact CZ-OE1 3.96Å; R32-E125 IonicContact CZ-OE2 2.8Å; R32-E125 IonicContact NE-OE1 2.63Å; R32-E125 IonicContact NE-OE2 3.03Å; R32-E125 PolarHBondContact NE-OE2 3.27Å; R32-E125 IonicContact NH2-OE1 2.96Å; R32-E125 PolarHBondContact NH2-OE1 2.92Å; R32-E125 IonicContact NH2-OE2 3.36Å; R32-E125 PolarHBondContact NH2-OE2 3.49Å; E107-E125 WeakPolarHBondContact CA-O 3.33Å; F108-E125 HydrophobicContact CB-CB 4.31Å; F108-E125 HydrophobicContact CD2-CB 4.15Å; F108-E125 HydrophobicContact CD2-CG 4.07Å; F108-E125 PolarHBondContact N-O 3.46Å; T123-E125 VanDerWaalsContact CG2-O 3.31Å; T123-E125 WeakPolarHBondContact CG2-O 3.09Å; E125-W127 WeakPolarHBondContact OE1-CZ2 3.5Å; E125-W127 PolarHBondContact OE1-NE1 3.4Å
126R97.5Very high86.6Confident60 Ų6057 Ų5723%0.22630%0.302CS..EExtended strand (participates in β ladder)trans-140.6129.3-177.9173.8-178-67.6145.6-2.6110.2R4 E5 Y6 L106 E107 T123 I128R4-R126 PolarHBondContact O-N 3.09Å; E5-R126 WeakPolarHBondContact CA-O 3.26Å; E5-R126 HydrophobicContact CG-CB 4.29Å; E5-R126 IonicContact OE1-CZ 2.72Å; E5-R126 IonicContact OE1-NH1 3.71Å; E5-R126 PolarHBondContact OE1-NH1 2.72Å; Y6-R126 PolarHBondContact N-O 2.77Å; L106-R126 WeakPolarHBondContact O-CA 3.31Å; E107-R126 HydrophobicContact CG-CB 4.39Å; E107-R126 HydrophobicContact CG-CG 4.06Å; E107-R126 IonicContact OE1-CZ 3.96Å; E107-R126 IonicContact OE1-NE 3.13Å; E107-R126 PolarHBondContact OE1-NE 3.36Å; E107-R126 IonicContact OE1-NH2 2.99Å; E107-R126 PolarHBondContact OE1-NH2 3.49Å; T123-R126 HydrophobicContact CG2-CB 4.24Å; R126-I128 HydrophobicContact CG-CD1 4.22Å; R126-I128 HydrophobicContact CG-CG1 3.78Å
127W98.4Very high88.3Confident5 Ų547.5 Ų47.52%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-116.1122.2174.6-63.183.3000109.1Y6 F8 I28 N105 L106 E125 I159 H162 F163Y6-W127 HydrophobicContact CD1-CH2 4.3Å; Y6-W127 HydrophobicContact CD1-CZ3 4.32Å; Y6-W127 AromaticContact CD2-CD2 3.61Å; Y6-W127 HydrophobicContact CD2-CD2 3.61Å; Y6-W127 AromaticContact CD2-CE2 3.42Å; Y6-W127 VanDerWaalsContact CD2-CE2 3.42Å; Y6-W127 AromaticContact CD2-CE3 3.82Å; Y6-W127 HydrophobicContact CD2-CE3 3.82Å; Y6-W127 HydrophobicContact CD2-CG 4.27Å; Y6-W127 AromaticContact CD2-CH2 3.73Å; Y6-W127 HydrophobicContact CD2-CH2 3.73Å; Y6-W127 AromaticContact CD2-CZ2 3.5Å; Y6-W127 HydrophobicContact CD2-CZ2 3.5Å; Y6-W127 VanDerWaalsContact CD2-CZ2 3.5Å; Y6-W127 AromaticContact CD2-CZ3 3.87Å; Y6-W127 HydrophobicContact CD2-CZ3 3.87Å; Y6-W127 AromaticContact CD2-NE1 3.94Å; Y6-W127 AromaticContact CE2-CE2 3.89Å; Y6-W127 HydrophobicContact CE2-CH2 4.1Å; Y6-W127 AromaticContact CE2-CZ2 3.67Å; Y6-W127 HydrophobicContact CE2-CZ2 3.67Å; Y6-W127 HydrophobicContact CG-CD2 4.08Å; Y6-W127 AromaticContact CG-CE3 3.79Å; Y6-W127 HydrophobicContact CG-CE3 3.79Å; Y6-W127 AromaticContact CG-CH2 3.83Å; Y6-W127 HydrophobicContact CG-CH2 3.83Å; Y6-W127 HydrophobicContact CG-CZ2 4.1Å; Y6-W127 AromaticContact CG-CZ3 3.65Å; Y6-W127 HydrophobicContact CG-CZ3 3.65Å; Y6-W127 CarbonylContact O-C 3.55Å; Y6-W127 WeakPolarHBondContact O-CA 3.27Å; F8-W127 AromaticContact CE2-CE3 3.66Å; F8-W127 HydrophobicContact CE2-CE3 3.66Å; F8-W127 HydrophobicContact CE2-CZ3 4.28Å; F8-W127 AromaticContact CZ-CE3 3.55Å; F8-W127 HydrophobicContact CZ-CE3 3.55Å; F8-W127 AromaticContact CZ-CZ3 3.68Å; F8-W127 HydrophobicContact CZ-CZ3 3.68Å; I28-W127 HydrophobicContact CD1-CB 3.77Å; I28-W127 HydrophobicContact CD1-CD2 3.56Å; I28-W127 HydrophobicContact CD1-CE3 3.76Å; I28-W127 HydrophobicContact CD1-CG 3.59Å; I28-W127 HydrophobicContact CG1-CD2 4.01Å; I28-W127 HydrophobicContact CG1-CE3 4.25Å; I28-W127 HydrophobicContact CG1-CG 4.33Å; I28-W127 HydrophobicContact CG2-CD2 4.37Å; I28-W127 HydrophobicContact CG2-CG 4.21Å; N105-W127 CarbonylContact C-O 3.56Å; N105-W127 VanDerWaalsContact CA-O 3.29Å; N105-W127 WeakPolarHBondContact CA-O 3.48Å; L106-W127 HydrophobicContact CB-CB 4.43Å; L106-W127 PolarHBondContact N-O 3.46Å; L106-W127 PolarHBondContact O-N 3.29Å; E125-W127 WeakPolarHBondContact OE1-CZ2 3.5Å; E125-W127 PolarHBondContact OE1-NE1 3.4Å; W127-I159 HydrophobicContact CH2-CG1 4.38Å; W127-I159 HydrophobicContact CZ3-CG1 3.96Å; W127-H162 AromaticContact CH2-CD2 3.76Å; W127-H162 AromaticContact CZ2-CD2 3.82Å; W127-F163 HydrophobicContact CH2-CE2 4.33Å; W127-F163 AromaticContact CZ2-CE2 3.9Å; W127-F163 HydrophobicContact CZ2-CE2 3.9Å; W127-F163 HydrophobicContact CZ2-CZ 4.12Å
128I98.4Very high90.1Very high30 Ų3044.7 Ų44.715%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-113.7121.1-171.7-54173.5000108.6Y6 S7 F8 A103 N105 R126Y6-I128 PolarHBondContact O-N 3.29Å; S7-I128 CarbonylContact C-O 3.52Å; S7-I128 VanDerWaalsContact CA-O 3.31Å; S7-I128 WeakPolarHBondContact CA-O 2.91Å; F8-I128 PolarHBondContact N-O 2.99Å; A103-I128 HydrophobicContact CB-CG2 4.24Å; N105-I128 WeakPolarHBondContact OD1-CG2 3.3Å; R126-I128 HydrophobicContact CG-CD1 4.22Å; R126-I128 HydrophobicContact CG-CG1 3.78Å
129V98.6Very high92Very high0 Ų049.2 Ų49.20%029%0.287CS..EExtended strand (participates in β ladder)trans-102105.3170.2-172.60000107.9F8 F10 V20 V21 L24 F25 A103 I104 V131F8-V129 HydrophobicContact CD2-CG2 4.11Å; F10-V129 HydrophobicContact CD2-CG1 4.22Å; V20-V129 HydrophobicContact CG1-CG1 4.29Å; V21-V129 HydrophobicContact CG2-CB 4.48Å; V21-V129 HydrophobicContact CG2-CG1 4.07Å; L24-V129 HydrophobicContact CD1-CG1 4.13Å; L24-V129 HydrophobicContact CD1-CG2 3.71Å; F25-V129 HydrophobicContact CD1-CG2 4.44Å; F25-V129 HydrophobicContact CE1-CG2 3.74Å; F25-V129 HydrophobicContact CZ-CG2 4.35Å; A103-V129 WeakPolarHBondContact CA-O 3.37Å; I104-V129 HydrophobicContact CG2-CB 3.94Å; I104-V129 PolarHBondContact N-O 3.26Å; I104-V129 VanDerWaalsContact N-O 3.1Å; I104-V129 PolarHBondContact O-N 3.07Å; V129-V131 HydrophobicContact CG1-CG2 4.02Å
130N97.9Very high93.6Very high54 Ų5449.8 Ų49.829%0.28928%0.282SS..EExtended strand (participates in β ladder)trans-85121.1173.4-56.9-83.6000108.7F8 I9 F10F8-N130 VanDerWaalsContact O-CB 3.32Å; F8-N130 WeakPolarHBondContact O-CB 3.37Å; F8-N130 PolarHBondContact O-N 3.29Å; F8-N130 PolarHBondContact O-ND2 3.03Å; I9-N130 WeakPolarHBondContact CA-O 3.38Å; I9-N130 HydrophobicContact CG1-CB 4.19Å; F10-N130 PolarHBondContact N-O 3.18Å
131V97.3Very high94.7Very high2 Ų250.6 Ų50.61%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-111.5129.6-177.9177.50000109.3V12 I17 F83 M87 R101 G102 V129V12-V131 HydrophobicContact CG2-CG1 3.7Å; I17-V131 HydrophobicContact CD1-CG1 4.14Å; I17-V131 HydrophobicContact CG1-CG1 3.96Å; F83-V131 HydrophobicContact CE1-CB 4.29Å; F83-V131 HydrophobicContact CE1-CG2 3.86Å; F83-V131 HydrophobicContact CZ-CB 4.07Å; F83-V131 HydrophobicContact CZ-CG2 4.03Å; M87-V131 HydrophobicContact CE-CB 4.36Å; M87-V131 HydrophobicContact CE-CG1 3.98Å; R101-V131 WeakPolarHBondContact CA-O 3.49Å; G102-V131 PolarHBondContact N-O 2.83Å; G102-V131 PolarHBondContact O-N 3.42Å; V129-V131 HydrophobicContact CG1-CG2 4.02Å
132I95.2Very high95.2Very high23 Ų2351.8 Ų51.812%0.11828%0.28CS..EExtended strand (participates in β ladder)trans-117.5111.9176.1-59.9-179.6000106.6I9 F10 S11 V12 E99 R101I9-I132 HydrophobicContact CG2-CD1 3.88Å; F10-I132 PolarHBondContact O-N 3.23Å; S11-I132 CarbonylContact C-O 3.57Å; S11-I132 WeakPolarHBondContact CA-O 3.33Å; V12-I132 PolarHBondContact N-O 3.38Å; E99-I132 HydrophobicContact CG-CG2 3.4Å; E99-I132 VanDerWaalsContact CG-CG2 3.4Å; E99-I132 WeakPolarHBondContact OE1-CG2 3.11Å; R101-I132 HydrophobicContact CG-CG1 4.32Å
133L94.2Very high95.5Very high19 Ų1955.8 Ų55.810%0.09930%0.3CS..EExtended strand (participates in β ladder)trans-80128-178.6-17263.1000110.1V12 E14 I17 M87 V100V12-L133 WeakPolarHBondContact O-CA 3.29Å; E14-L133 HydrophobicContact CB-CD1 3.92Å; I17-L133 HydrophobicContact CD1-CD1 4.3Å; M87-L133 HydrophobicContact CE-CB 4.3Å; V100-L133 HydrophobicContact CB-CB 4.01Å; V100-L133 HydrophobicContact CB-CD2 4.3Å; V100-L133 PolarHBondContact O-N 2.72Å
134K92Very high95.6Very high87 Ų8755.4 Ų55.438%0.37830%0.296SS..  trans-120.8157.2178-68.2-170.1175.8173.60111.6S11 V12S11-K134 VanDerWaalsContact CB-NZ 3.33Å; S11-K134 VanDerWaalsContact OG-CE 3.27Å; S11-K134 WeakPolarHBondContact OG-CE 3.37Å; S11-K134 PolarHBondContact OG-NZ 3.46Å; V12-K134 PolarHBondContact O-N 3.01Å
135T90.9Very high95.7Very high146 Ų14658 Ų5890%0.89631%0.306SS*.  trans-103.3134.9163.451.60000108.3
136V91.6Very high95.8Very high29 Ų2964.7 Ų64.718%0.17633%0.331CS..  trans-125.8133.4-178.2179.70000108.5V13 E140 K141 H144V13-V136 HydrophobicContact CG1-CB 4.02Å; V13-V136 HydrophobicContact CG1-CG2 3.61Å; V136-E140 HydrophobicContact CG1-CB 3.61Å; V136-K141 HydrophobicContact CG1-CG 4.28Å; V136-H144 HydrophobicContact CG1-CB 4.07Å; V136-H144 HydrophobicContact CG2-CB 4.44Å
137S93.7Very high95.8Very high52 Ų5267.7 Ų67.736%0.36435%0.348SS..  trans-68.6154178.457.10000111.1N139 E140 K141S137-N139 VanDerWaalsContact CB-OD1 3.26Å; S137-N139 WeakPolarHBondContact CB-OD1 3.49Å; S137-N139 PolarHBondContact O-N 2.74Å; S137-N139 VanDerWaalsContact O-N 3.11Å; S137-N139 PolarHBondContact OG-OD1 3.12Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 WeakPolarHBondContact OG-CG 3.29Å; S137-E140 PolarHBondContact OG-OE2 3.42Å; S137-K141 WeakPolarHBondContact O-CG 3.39Å; S137-K141 PolarHBondContact O-N 2.94Å
138A93.5Very high95.8Very high85 Ų8567.5 Ų67.570%0.70235%0.347SS*.THydrogen-bonded Turntrans-56.7-33.1-173.300000114.4
139N95.4Very high95.8Very high128 Ų12866.4 Ų66.468%0.68434%0.342SS*.THydrogen-bonded Turntrans-75.2-20.8178.262.2-29.9000114S137S137-N139 VanDerWaalsContact CB-OD1 3.26Å; S137-N139 WeakPolarHBondContact CB-OD1 3.49Å; S137-N139 PolarHBondContact O-N 2.74Å; S137-N139 VanDerWaalsContact O-N 3.11Å; S137-N139 PolarHBondContact OG-OD1 3.12Å
140E94.9Very high95.8Very high108 Ų10870.5 Ų70.551%0.50536%0.364SS..THydrogen-bonded Turntrans-99.1-9.9-178.6-67.3176.4168.300112.5V136 S137 E142 D143 H144V136-E140 HydrophobicContact CG1-CB 3.61Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 WeakPolarHBondContact OG-CG 3.29Å; S137-E140 PolarHBondContact OG-OE2 3.42Å; E140-E142 VanDerWaalsContact C-N 3.35Å; E140-E142 PolarHBondContact O-N 3.42Å; E140-D143 PolarHBondContact O-N 3.02Å; E140-H144 WeakPolarHBondContact O-CB 3.24Å; E140-H144 PolarHBondContact O-N 2.95Å
141K95.1Very high95.8Very high126 Ų12670.5 Ų70.555%0.54836%0.362SS..Hα-helixtrans-56-44.1-173.8-74.5-174.4179.4-174.20113.7V136 S137 R145V136-K141 HydrophobicContact CG1-CG 4.28Å; S137-K141 WeakPolarHBondContact O-CG 3.39Å; S137-K141 PolarHBondContact O-N 2.94Å; K141-R145 VanDerWaalsContact O-CB 3.29Å; K141-R145 WeakPolarHBondContact O-CB 3.47Å; K141-R145 PolarHBondContact O-N 2.96Å
142E96.2Very high95.9Very high74 Ų7470.4 Ų70.435%0.34636%0.362SS..Hα-helixtrans-71.3-41.1-177.2175.858.1-16600112E140 H144 R145 R146E140-E142 VanDerWaalsContact C-N 3.35Å; E140-E142 PolarHBondContact O-N 3.42Å; E142-H144 VanDerWaalsContact C-N 3.34Å; E142-R145 PolarHBondContact O-N 3.33Å; E142-R145 IonicContact OE1-CZ 2.92Å; E142-R145 IonicContact OE1-NE 3.8Å; E142-R145 IonicContact OE1-NH2 2.7Å; E142-R145 PolarHBondContact OE1-NH2 2.84Å; E142-R145 IonicContact OE2-CZ 2.63Å; E142-R145 VanDerWaalsContact OE2-CZ 3.26Å; E142-R145 IonicContact OE2-NE 3.96Å; E142-R145 PolarHBondContact OE2-NE 3.43Å; E142-R145 IonicContact OE2-NH2 3.62Å; E142-R145 PolarHBondContact OE2-NH2 2.93Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.49Å; E142-R146 IonicContact OE1-CZ 2.99Å; E142-R146 IonicContact OE1-NE 3.93Å; E142-R146 PolarHBondContact OE1-NE 3.5Å; E142-R146 IonicContact OE1-NH2 3.64Å; E142-R146 PolarHBondContact OE1-NH2 2.94Å
143D97.4Very high96.1Very high109 Ų10975.7 Ų75.758%0.58338%0.38SS*.Hα-helixtrans-65.5-40.5175.8-69.8-23.7000110.9E140 R146 Q147E140-D143 PolarHBondContact O-N 3.02Å; D143-R146 PolarHBondContact O-N 3.11Å; D143-Q147 WeakPolarHBondContact O-CB 3.47Å; D143-Q147 PolarHBondContact O-N 2.68Å
144H97Very high96.3Very high22 Ų2278.3 Ų78.310%0.10239%0.394CS..Hα-helixtrans-60.4-49.9173.6-173.470.8000111.8S11 E16 V136 E140 E142 R146 Q147 I148S11-H144 PolarHBondContact O-CE1 3.09Å; E16-H144 IonicContact OE1-CD2 3.57Å; E16-H144 IonicContact OE2-CD2 3.66Å; E16-H144 IonicContact OE2-NE2 3.44Å; E16-H144 PolarHBondContact OE2-NE2 2.81Å; V136-H144 HydrophobicContact CG1-CB 4.07Å; V136-H144 HydrophobicContact CG2-CB 4.44Å; E140-H144 WeakPolarHBondContact O-CB 3.24Å; E140-H144 PolarHBondContact O-N 2.95Å; E142-H144 VanDerWaalsContact C-N 3.34Å; H144-R146 VanDerWaalsContact C-N 3.29Å; H144-R146 PolarHBondContact O-N 2.92Å; H144-Q147 WeakPolarHBondContact O-CB 3.36Å; H144-Q147 PolarHBondContact O-N 3.03Å; H144-I148 WeakPolarHBondContact O-CG1 3.29Å; H144-I148 PolarHBondContact O-N 2.9Å
145R97.7Very high96.6Very high59 Ų5976.3 Ų76.322%0.22339%0.386CS..Hα-helixtrans-56-44.1178.4-170.5-17769.575.71.9111.7S59 L60 K141 E142 I148 S149S59-R145 VanDerWaalsContact O-CD 3.23Å; S59-R145 WeakPolarHBondContact O-CD 3.37Å; S59-R145 VanDerWaalsContact O-CG 3.29Å; S59-R145 WeakPolarHBondContact O-CG 3.28Å; L60-R145 HydrophobicContact CD2-CG 4.21Å; K141-R145 VanDerWaalsContact O-CB 3.29Å; K141-R145 WeakPolarHBondContact O-CB 3.47Å; K141-R145 PolarHBondContact O-N 2.96Å; E142-R145 PolarHBondContact O-N 3.33Å; E142-R145 IonicContact OE1-CZ 2.92Å; E142-R145 IonicContact OE1-NE 3.8Å; E142-R145 IonicContact OE1-NH2 2.7Å; E142-R145 PolarHBondContact OE1-NH2 2.84Å; E142-R145 IonicContact OE2-CZ 2.63Å; E142-R145 VanDerWaalsContact OE2-CZ 3.26Å; E142-R145 IonicContact OE2-NE 3.96Å; E142-R145 PolarHBondContact OE2-NE 3.43Å; E142-R145 IonicContact OE2-NH2 3.62Å; E142-R145 PolarHBondContact OE2-NH2 2.93Å; R145-I148 PolarHBondContact O-N 2.86Å; R145-S149 WeakPolarHBondContact O-CB 3.48Å; R145-S149 PolarHBondContact O-N 2.86Å; R145-S149 PolarHBondContact O-OG 3.34Å
146R98.1Very high97Very high140 Ų14070.2 Ų70.253%0.52835%0.348SS..Hα-helixtrans-64.1-41.9175.1-71.4175.5-172-163.91.9112.5E142 D143 H144 S149 N150E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.49Å; E142-R146 IonicContact OE1-CZ 2.99Å; E142-R146 IonicContact OE1-NE 3.93Å; E142-R146 PolarHBondContact OE1-NE 3.5Å; E142-R146 IonicContact OE1-NH2 3.64Å; E142-R146 PolarHBondContact OE1-NH2 2.94Å; D143-R146 PolarHBondContact O-N 3.11Å; H144-R146 VanDerWaalsContact C-N 3.29Å; H144-R146 PolarHBondContact O-N 2.92Å; R146-S149 PolarHBondContact O-N 2.87Å; R146-N150 WeakPolarHBondContact O-CB 3.47Å; R146-N150 VanDerWaalsContact O-CG 3.26Å; R146-N150 PolarHBondContact O-N 3.2Å; R146-N150 PolarHBondContact O-ND2 3.47Å
147Q98.3Very high97.3Very high123 Ų12371.7 Ų71.758%0.57536%0.359SS*.Hα-helixtrans-60-46.4176.8-179.3-175.5-21.900111.1D143 H144 N150 Q151D143-Q147 WeakPolarHBondContact O-CB 3.47Å; D143-Q147 PolarHBondContact O-N 2.68Å; H144-Q147 WeakPolarHBondContact O-CB 3.36Å; H144-Q147 PolarHBondContact O-N 3.03Å; Q147-N150 PolarHBondContact O-N 2.84Å; Q147-Q151 WeakPolarHBondContact O-CB 3.19Å; Q147-Q151 PolarHBondContact O-N 3.44Å
148I98.5Very high97.5Very high1 Ų172.8 Ų72.81%0.00536%0.361CS..Hα-helixtrans-68.9-41.4179.4-59.9-54.8000111.5F10 S11 V12 V20 L60 H144 R145 N150 Q151 L152F10-I148 HydrophobicContact CD1-CG2 4.45Å; S11-I148 VanDerWaalsContact O-CD1 3.28Å; S11-I148 WeakPolarHBondContact O-CD1 3.43Å; V12-I148 HydrophobicContact CG1-CD1 4.07Å; V12-I148 HydrophobicContact CG1-CG1 4.22Å; V12-I148 HydrophobicContact CG1-CG2 3.92Å; V20-I148 HydrophobicContact CG2-CG2 3.94Å; L60-I148 HydrophobicContact CD1-CG2 3.84Å; L60-I148 HydrophobicContact CD2-CB 3.94Å; L60-I148 HydrophobicContact CD2-CG2 3.72Å; L60-I148 HydrophobicContact CG-CG2 4.46Å; H144-I148 WeakPolarHBondContact O-CG1 3.29Å; H144-I148 PolarHBondContact O-N 2.9Å; R145-I148 PolarHBondContact O-N 2.86Å; I148-N150 VanDerWaalsContact C-N 3.33Å; I148-N150 PolarHBondContact O-N 3.39Å; I148-Q151 PolarHBondContact O-N 2.92Å; I148-L152 VanDerWaalsContact O-CB 3.28Å; I148-L152 WeakPolarHBondContact O-CB 3.46Å; I148-L152 PolarHBondContact O-N 3.32Å
149S98.6Very high97.7Very high8 Ų868.8 Ų68.86%0.05633%0.328CS..Hα-helixtrans-55.3-47.1171.7-85.10000112D61 R145 R146 L152 R153D61-S149 PolarHBondContact N-OG 2.87Å; D61-S149 PolarHBondContact O-OG 2.9Å; D61-S149 VanDerWaalsContact O-OG 3.05Å; R145-S149 WeakPolarHBondContact O-CB 3.48Å; R145-S149 PolarHBondContact O-N 2.86Å; R145-S149 PolarHBondContact O-OG 3.34Å; R146-S149 PolarHBondContact O-N 2.87Å; S149-L152 PolarHBondContact O-N 2.83Å; S149-R153 WeakPolarHBondContact O-CB 3.2Å; S149-R153 PolarHBondContact O-N 2.89Å
150N98.5Very high97.7Very high86 Ų8666.1 Ų66.146%0.4631%0.313SS..Hα-helixtrans-65.9-45.5179.6-73.4-26.6000111.9R146 Q147 I148 L152 R153 D154R146-N150 WeakPolarHBondContact O-CB 3.47Å; R146-N150 VanDerWaalsContact O-CG 3.26Å; R146-N150 PolarHBondContact O-N 3.2Å; R146-N150 PolarHBondContact O-ND2 3.47Å; Q147-N150 PolarHBondContact O-N 2.84Å; I148-N150 VanDerWaalsContact C-N 3.33Å; I148-N150 PolarHBondContact O-N 3.39Å; N150-L152 VanDerWaalsContact C-N 3.35Å; N150-L152 PolarHBondContact O-N 2.71Å; N150-R153 WeakPolarHBondContact O-CB 3.43Å; N150-R153 PolarHBondContact O-N 3.49Å; N150-D154 VanDerWaalsContact O-CG 3.24Å; N150-D154 PolarHBondContact O-N 2.9Å
151Q98.7Very high97.8Very high53 Ų5367.4 Ų67.425%0.24832%0.319CS..Hα-helixtrans-59.4-47.6176.4-176-175-8.800110.8I9 F10 Q147 I148 R153 D154 E155I9-Q151 PolarHBondContact O-NE2 3.18Å; F10-Q151 HydrophobicContact CD1-CG 4.42Å; F10-Q151 HydrophobicContact CE1-CB 4.23Å; F10-Q151 HydrophobicContact CE1-CG 3.79Å; F10-Q151 HydrophobicContact CZ-CG 4.29Å; Q147-Q151 WeakPolarHBondContact O-CB 3.19Å; Q147-Q151 PolarHBondContact O-N 3.44Å; I148-Q151 PolarHBondContact O-N 2.92Å; Q151-R153 VanDerWaalsContact C-N 3.34Å; Q151-R153 PolarHBondContact O-N 3.31Å; Q151-D154 PolarHBondContact O-N 3.48Å; Q151-E155 WeakPolarHBondContact O-CG 3.28Å; Q151-E155 PolarHBondContact O-N 2.97Å
152L98.8Very high97.8Very high0 Ų063 Ų630%030%0.3CS..Hα-helixtrans-60-45.6179.1179.258.5000111.1F10 V20 A23 L24 L60 L62 I148 S149 N150 D154 E155 L156F10-L152 HydrophobicContact CE1-CB 4.17Å; F10-L152 HydrophobicContact CZ-CB 4.45Å; F10-L152 HydrophobicContact CZ-CD1 4.12Å; V20-L152 HydrophobicContact CG1-CD1 4.44Å; V20-L152 HydrophobicContact CG2-CD2 4.36Å; A23-L152 HydrophobicContact CB-CD1 4.23Å; A23-L152 HydrophobicContact CB-CD2 3.98Å; A23-L152 HydrophobicContact CB-CG 4.46Å; L24-L152 HydrophobicContact CD1-CD1 4.4Å; L24-L152 HydrophobicContact CD2-CD1 3.95Å; L24-L152 HydrophobicContact CG-CD1 3.84Å; L60-L152 HydrophobicContact CD1-CD2 3.71Å; L62-L152 HydrophobicContact CD1-CB 4.3Å; L62-L152 HydrophobicContact CD1-CD2 4.14Å; L62-L152 HydrophobicContact CD1-CG 4.04Å; L62-L152 HydrophobicContact CD2-CD2 4.18Å; I148-L152 VanDerWaalsContact O-CB 3.28Å; I148-L152 WeakPolarHBondContact O-CB 3.46Å; I148-L152 PolarHBondContact O-N 3.32Å; S149-L152 PolarHBondContact O-N 2.83Å; N150-L152 VanDerWaalsContact C-N 3.35Å; N150-L152 PolarHBondContact O-N 2.71Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 3.02Å; L152-E155 PolarHBondContact O-N 3.13Å; L152-L156 HydrophobicContact CD1-CD1 4.5Å; L152-L156 HydrophobicContact CD1-CG 4.27Å; L152-L156 HydrophobicContact CG-CD1 4.22Å; L152-L156 HydrophobicContact CG-CG 4.43Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 3.21Å
153R98.5Very high97.8Very high135 Ų13560.6 Ų60.651%0.50929%0.289SS..Hα-helixtrans-56.3-46.5175.6-178.5-162.166.6142.72.6112L62 S149 N150 Q151 E155 L156 C157L62-R153 HydrophobicContact CD1-CB 3.95Å; S149-R153 WeakPolarHBondContact O-CB 3.2Å; S149-R153 PolarHBondContact O-N 2.89Å; N150-R153 WeakPolarHBondContact O-CB 3.43Å; N150-R153 PolarHBondContact O-N 3.49Å; Q151-R153 VanDerWaalsContact C-N 3.34Å; Q151-R153 PolarHBondContact O-N 3.31Å; R153-E155 VanDerWaalsContact C-N 3.34Å; R153-E155 PolarHBondContact O-N 2.86Å; R153-L156 PolarHBondContact O-N 3.39Å; R153-C157 PolarHBondContact O-N 2.64Å; R153-C157 PolarHBondContact O-SG 2.79Å
154D98.6Very high97.6Very high74 Ų7461.4 Ų61.440%0.39629%0.293SS..Hα-helixtrans-63.7-41.4-180-64.6-8.8000110.7N150 Q151 L152 C157 N158N150-D154 VanDerWaalsContact O-CG 3.24Å; N150-D154 PolarHBondContact O-N 2.9Å; Q151-D154 PolarHBondContact O-N 3.48Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 3.02Å; D154-C157 WeakPolarHBondContact O-CB 3.4Å; D154-C157 PolarHBondContact O-N 3.13Å; D154-N158 PolarHBondContact O-N 3.01Å; D154-N158 PolarHBondContact O-ND2 2.92Å; D154-N158 PolarHBondContact O-OD1 3.17Å
155E98.6Very high97.5Very high45 Ų4561.9 Ų61.921%0.2130%0.299CS..Hα-helixtrans-67-36175.6-64.4-59.2176.100113.3F8 F10 L24 Q151 L152 R153 C157 N158 I159F8-E155 HydrophobicContact CD1-CB 4.06Å; F8-E155 HydrophobicContact CD1-CG 3.94Å; F8-E155 WeakPolarHBondContact CD1-OE2 3.27Å; F8-E155 HydrophobicContact CE1-CB 4.11Å; F8-E155 HydrophobicContact CE1-CG 4.42Å; F10-E155 HydrophobicContact CE2-CG 4.43Å; F10-E155 HydrophobicContact CZ-CB 4.42Å; F10-E155 HydrophobicContact CZ-CG 3.96Å; L24-E155 HydrophobicContact CD2-CB 4.13Å; Q151-E155 WeakPolarHBondContact O-CG 3.28Å; Q151-E155 PolarHBondContact O-N 2.97Å; L152-E155 PolarHBondContact O-N 3.13Å; R153-E155 VanDerWaalsContact C-N 3.34Å; R153-E155 PolarHBondContact O-N 2.86Å; E155-C157 VanDerWaalsContact C-N 3.34Å; E155-N158 WeakPolarHBondContact O-CB 3.44Å; E155-N158 PolarHBondContact O-N 2.99Å; E155-N158 PolarHBondContact OE2-ND2 2.7Å; E155-I159 WeakPolarHBondContact O-CG1 3.4Å; E155-I159 PolarHBondContact O-N 3.11Å
156L98.5Very high97.3Very high18 Ų1865.9 Ų65.99%0.09433%0.333CS..Hα-helixtrans-62.3-43.5172.3-68.2174.9000110.8A23 L24 T27 L62 L152 R153 N158 I159 L160A23-L156 HydrophobicContact CB-CD1 4.48Å; A23-L156 HydrophobicContact CB-CD2 4.47Å; L24-L156 HydrophobicContact CD2-CD2 4.19Å; T27-L156 HydrophobicContact CG2-CD2 4.11Å; T27-L156 VanDerWaalsContact OG1-CD2 3.32Å; T27-L156 WeakPolarHBondContact OG1-CD2 3.15Å; L62-L156 HydrophobicContact CD1-CD1 4.08Å; L62-L156 HydrophobicContact CD2-CD1 3.86Å; L152-L156 HydrophobicContact CD1-CD1 4.5Å; L152-L156 HydrophobicContact CD1-CG 4.27Å; L152-L156 HydrophobicContact CG-CD1 4.22Å; L152-L156 HydrophobicContact CG-CG 4.43Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 3.21Å; R153-L156 PolarHBondContact O-N 3.39Å; L156-N158 PolarHBondContact O-N 3.38Å; L156-I159 HydrophobicContact CD2-CD1 4.43Å; L156-I159 WeakPolarHBondContact O-CB 3.31Å; L156-I159 PolarHBondContact O-N 3.05Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.44Å
157C98Very high96.8Very high59 Ų5962.8 Ų62.840%0.39933%0.332SS..Hα-helixtrans-60.5-43.7173.3-70.80000112R153 D154 E155 I159 L160 E161R153-C157 PolarHBondContact O-N 2.64Å; R153-C157 PolarHBondContact O-SG 2.79Å; D154-C157 WeakPolarHBondContact O-CB 3.4Å; D154-C157 PolarHBondContact O-N 3.13Å; E155-C157 VanDerWaalsContact C-N 3.34Å; C157-I159 VanDerWaalsContact C-N 3.29Å; C157-I159 PolarHBondContact O-N 3.24Å; C157-L160 WeakPolarHBondContact O-CB 3.43Å; C157-L160 PolarHBondContact O-N 2.72Å; C157-L160 VanDerWaalsContact O-N 3.09Å; C157-E161 WeakPolarHBondContact O-CG 3.29Å; C157-E161 PolarHBondContact O-N 3.31Å
158N97.7Very high96.5Very high76 Ų7658.5 Ų58.541%0.40632%0.318SS..Hα-helixtrans-59.4-39.5176.2-66.7-24.7000112.1D154 E155 L156 E161 H162D154-N158 PolarHBondContact O-N 3.01Å; D154-N158 PolarHBondContact O-ND2 2.92Å; D154-N158 PolarHBondContact O-OD1 3.17Å; E155-N158 WeakPolarHBondContact O-CB 3.44Å; E155-N158 PolarHBondContact O-N 2.99Å; E155-N158 PolarHBondContact OE2-ND2 2.7Å; L156-N158 PolarHBondContact O-N 3.38Å; N158-E161 PolarHBondContact O-N 2.87Å; N158-H162 WeakPolarHBondContact O-CB 3.22Å; N158-H162 PolarHBondContact O-N 3.48Å
159I97.8Very high96.2Very high1 Ų162.2 Ų62.21%0.00533%0.332CS..Hα-helixtrans-60.6-48.9173.8-70.9163.6000110F8 L24 T27 I28 W127 E155 L156 C157 E161 H162 F163F8-I159 HydrophobicContact CE1-CD1 4.32Å; F8-I159 HydrophobicContact CE1-CG1 4.32Å; F8-I159 HydrophobicContact CZ-CD1 3.74Å; F8-I159 HydrophobicContact CZ-CG1 3.85Å; L24-I159 HydrophobicContact CD2-CD1 3.59Å; T27-I159 HydrophobicContact CG2-CB 4.48Å; T27-I159 HydrophobicContact CG2-CG2 3.89Å; I28-I159 HydrophobicContact CD1-CD1 4.28Å; I28-I159 HydrophobicContact CG1-CD1 4.06Å; I28-I159 HydrophobicContact CG1-CG1 4.49Å; I28-I159 HydrophobicContact CG1-CG2 4.15Å; W127-I159 HydrophobicContact CH2-CG1 4.38Å; W127-I159 HydrophobicContact CZ3-CG1 3.96Å; E155-I159 WeakPolarHBondContact O-CG1 3.4Å; E155-I159 PolarHBondContact O-N 3.11Å; L156-I159 HydrophobicContact CD2-CD1 4.43Å; L156-I159 WeakPolarHBondContact O-CB 3.31Å; L156-I159 PolarHBondContact O-N 3.05Å; C157-I159 VanDerWaalsContact C-N 3.29Å; C157-I159 PolarHBondContact O-N 3.24Å; I159-E161 VanDerWaalsContact C-N 3.33Å; I159-E161 PolarHBondContact O-N 3.48Å; I159-H162 WeakPolarHBondContact O-CB 3.28Å; I159-H162 PolarHBondContact O-N 3.5Å; I159-H162 VanDerWaalsContact O-N 3.15Å; I159-F163 HydrophobicContact CG2-CD2 3.59Å; I159-F163 HydrophobicContact CG2-CE2 3.59Å; I159-F163 VanDerWaalsContact O-CD2 3.25Å; I159-F163 WeakPolarHBondContact O-CD2 3.35Å; I159-F163 PolarHBondContact O-N 3.19Å
160L96.6Very high96Very high71 Ų7163.6 Ų63.637%0.37234%0.344SS..Hα-helixtrans-60.1-43.3179.3-62.3178.3000111.9T27 H31 L156 C157 H162 F163 N164T27-L160 HydrophobicContact CG2-CD2 4.28Å; H31-L160 WeakPolarHBondContact NE2-CD2 3.41Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.44Å; C157-L160 WeakPolarHBondContact O-CB 3.43Å; C157-L160 PolarHBondContact O-N 2.72Å; C157-L160 VanDerWaalsContact O-N 3.09Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-H162 PolarHBondContact O-N 3.09Å; L160-F163 PolarHBondContact O-N 3.35Å; L160-N164 WeakPolarHBondContact O-CB 3.45Å; L160-N164 PolarHBondContact O-N 3.41Å; L160-N164 PolarHBondContact O-ND2 3.35Å
161E96.5Very high95.8Very high136 Ų13659.9 Ų59.964%0.63633%0.325SS*.Hα-helixtrans-62-41.9175.4-71.1-178-177.600111.7C157 N158 I159 F163 N164 S165C157-E161 WeakPolarHBondContact O-CG 3.29Å; C157-E161 PolarHBondContact O-N 3.31Å; N158-E161 PolarHBondContact O-N 2.87Å; I159-E161 VanDerWaalsContact C-N 3.33Å; I159-E161 PolarHBondContact O-N 3.48Å; E161-F163 PolarHBondContact O-N 3.38Å; E161-N164 PolarHBondContact O-N 2.85Å; E161-S165 PolarHBondContact O-N 3.35Å; E161-S165 VanDerWaalsContact O-N 3.08Å
162H95.9Very high95.5Very high33 Ų3362.3 Ų62.315%0.15335%0.348CS..Hα-helixtrans-57.2-52.3176.7176.368.9000111.5Y6 W127 N158 I159 L160 N164 S165Y6-H162 AromaticContact CE1-CE1 3.7Å; Y6-H162 AromaticContact CE1-ND1 3.96Å; Y6-H162 AromaticContact CZ-CE1 3.41Å; Y6-H162 VanDerWaalsContact CZ-CE1 3.41Å; Y6-H162 AromaticContact CZ-NE2 3.57Å; Y6-H162 PolarHBondContact OH-CE1 2.79Å; Y6-H162 PolarHBondContact OH-NE2 3.08Å; Y6-H162 VanDerWaalsContact OH-NE2 3.12Å; W127-H162 AromaticContact CH2-CD2 3.76Å; W127-H162 AromaticContact CZ2-CD2 3.82Å; N158-H162 WeakPolarHBondContact O-CB 3.22Å; N158-H162 PolarHBondContact O-N 3.48Å; I159-H162 WeakPolarHBondContact O-CB 3.28Å; I159-H162 PolarHBondContact O-N 3.5Å; I159-H162 VanDerWaalsContact O-N 3.15Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-H162 PolarHBondContact O-N 3.09Å; H162-N164 VanDerWaalsContact C-N 3.31Å; H162-N164 PolarHBondContact O-N 3.47Å; H162-S165 WeakPolarHBondContact O-CB 3.18Å; H162-S165 PolarHBondContact O-N 3.34Å; H162-S165 VanDerWaalsContact O-N 3.13Å; H162-S165 PolarHBondContact O-OG 3.36Å
163F96Very high95.3Very high23 Ų2364.4 Ų64.410%0.10136%0.359CS..Hα-helixtrans-68.7-27.8-177.5-81.5-79.7000113.5I28 H31 R32 W127 I159 L160 E161 S165I28-F163 HydrophobicContact CG1-CE2 4.49Å; I28-F163 HydrophobicContact CG2-CE2 4.45Å; I28-F163 HydrophobicContact CG2-CZ 4.11Å; H31-F163 HydrophobicContact CB-CB 4.25Å; H31-F163 HydrophobicContact CB-CD1 3.27Å; H31-F163 HydrophobicContact CB-CD2 3.86Å; H31-F163 HydrophobicContact CB-CE1 3.23Å; H31-F163 HydrophobicContact CB-CE2 3.96Å; H31-F163 HydrophobicContact CB-CG 3.56Å; H31-F163 HydrophobicContact CB-CZ 3.67Å; H31-F163 AromaticContact CD2-CD2 3.75Å; H31-F163 AromaticContact CD2-CG 3.99Å; H31-F163 AromaticContact CG-CD1 3.88Å; H31-F163 AromaticContact CG-CD2 3.84Å; H31-F163 AromaticContact CG-CG 3.64Å; R32-F163 HydrophobicContact CG-CE1 3.88Å; R32-F163 HydrophobicContact CG-CZ 3.97Å; R32-F163 VanDerWaalsContact NH2-CE1 3.28Å; W127-F163 HydrophobicContact CH2-CE2 4.33Å; W127-F163 AromaticContact CZ2-CE2 3.9Å; W127-F163 HydrophobicContact CZ2-CE2 3.9Å; W127-F163 HydrophobicContact CZ2-CZ 4.12Å; I159-F163 HydrophobicContact CG2-CD2 3.59Å; I159-F163 HydrophobicContact CG2-CE2 3.59Å; I159-F163 VanDerWaalsContact O-CD2 3.25Å; I159-F163 WeakPolarHBondContact O-CD2 3.35Å; I159-F163 PolarHBondContact O-N 3.19Å; L160-F163 PolarHBondContact O-N 3.35Å; E161-F163 PolarHBondContact O-N 3.38Å; F163-S165 VanDerWaalsContact C-N 3.31Å
164N92.9Very high95Very high126 Ų12658.9 Ų58.967%0.67434%0.344SS*.Hα-helixtrans-83.3-6174.3-71.4-47.6000113.4L160 E161 H162L160-N164 WeakPolarHBondContact O-CB 3.45Å; L160-N164 PolarHBondContact O-N 3.41Å; L160-N164 PolarHBondContact O-ND2 3.35Å; E161-N164 PolarHBondContact O-N 2.85Å; H162-N164 VanDerWaalsContact C-N 3.31Å; H162-N164 PolarHBondContact O-N 3.47Å
165S94.9Very high94.7Very high32 Ų3257.9 Ų57.922%0.22434%0.343CS..SBendtrans-75.4146.2179.6800000111.9E161 H162 F163 S167 A168E161-S165 PolarHBondContact O-N 3.35Å; E161-S165 VanDerWaalsContact O-N 3.08Å; H162-S165 WeakPolarHBondContact O-CB 3.18Å; H162-S165 PolarHBondContact O-N 3.34Å; H162-S165 VanDerWaalsContact O-N 3.13Å; H162-S165 PolarHBondContact O-OG 3.36Å; F163-S165 VanDerWaalsContact C-N 3.31Å; S165-S167 PolarHBondContact O-N 3.12Å; S165-S167 PolarHBondContact OG-N 3.48Å; S165-S167 PolarHBondContact OG-OG 3.33Å; S165-A168 VanDerWaalsContact O-CB 3.29Å; S165-A168 WeakPolarHBondContact O-CB 3.14Å; S165-A168 PolarHBondContact O-N 2.94Å; S165-A168 PolarHBondContact OG-N 2.94Å
166P93Very high94.5Very high144 Ų14457.5 Ų57.594%0.93535%0.345SS*.THydrogen-bonded Turntrans-60.1-16172.2-24.134000114.1A168P166-A168 VanDerWaalsContact C-N 3.35Å
167S88.7Confident94.2Very high74 Ų7461.6 Ų61.652%0.51736%0.364SS..THydrogen-bonded Turntrans-82.1-14.3179.279.20000113.1R4 S165 Y169R4-S167 PolarHBondContact NH1-O 2.99Å; R4-S167 PolarHBondContact NH2-O 2.84Å; S165-S167 PolarHBondContact O-N 3.12Å; S165-S167 PolarHBondContact OG-N 3.48Å; S165-S167 PolarHBondContact OG-OG 3.33Å; S167-Y169 PolarHBondContact O-N 2.82Å
168A91.6Very high93.9Very high34 Ų3461.4 Ų61.428%0.28137%0.367SS..  trans-59.7120.9-178.600000110.2S165 P166S165-A168 VanDerWaalsContact O-CB 3.29Å; S165-A168 WeakPolarHBondContact O-CB 3.14Å; S165-A168 PolarHBondContact O-N 2.94Å; S165-A168 PolarHBondContact OG-N 2.94Å; P166-A168 VanDerWaalsContact C-N 3.35Å
169Y92.4Very high93.6Very high78 Ų7862.5 Ų62.531%0.30637%0.369SS..  trans-105.3140.5-179.5169.1-96.5000110.1M1 R32 W124 S167 P171M1-Y169 WeakPolarHBondContact CE-OH 3.33Å; R32-Y169 PolarHBondContact NH2-O 3.47Å; W124-Y169 HydrophobicContact CD2-CE1 4.34Å; W124-Y169 AromaticContact CE3-CD1 3.76Å; W124-Y169 HydrophobicContact CE3-CD1 3.76Å; W124-Y169 AromaticContact CE3-CE1 3.75Å; W124-Y169 HydrophobicContact CE3-CE1 3.75Å; W124-Y169 HydrophobicContact CZ3-CD1 4Å; W124-Y169 HydrophobicContact CZ3-CE1 4.28Å; W124-Y169 WeakPolarHBondContact CZ3-O 3.46Å; S167-Y169 PolarHBondContact O-N 2.82Å; Y169-P171 HydrophobicContact CE1-CG 4.14Å
170A94.1Very high93.5Very high37 Ų3762.5 Ų62.531%0.30637%0.369SS..  trans-142.8144.4161.800000109W124 S172 Y194W124-A170 HydrophobicContact CH2-CB 4.34Å; A170-S172 PolarHBondContact O-N 3.14Å; A170-Y194 HydrophobicContact CB-CE1 4.49Å; A170-Y194 HydrophobicContact CB-CE2 4.2Å; A170-Y194 WeakPolarHBondContact CB-OH 3.46Å
171P93.7Very high93.3Very high8 Ų862.2 Ų62.25%0.05237%0.366CS..PPolyproline II helixtrans-56137.9174.1-2433.4000112.1W124 Y169 I183 Y194W124-P171 HydrophobicContact CD2-CG 3.89Å; W124-P171 HydrophobicContact CE3-CG 4.41Å; W124-P171 HydrophobicContact CG-CG 4.21Å; W124-P171 VanDerWaalsContact CZ2-CD 3.46Å; W124-P171 HydrophobicContact CZ2-CG 4.04Å; Y169-P171 HydrophobicContact CE1-CG 4.14Å; P171-I183 HydrophobicContact CB-CB 4.39Å; P171-I183 HydrophobicContact CB-CD1 3.85Å; P171-I183 HydrophobicContact CB-CG2 3.97Å; P171-I183 HydrophobicContact CG-CG2 4.37Å; P171-Y194 HydrophobicContact CB-CE1 4.35Å; P171-Y194 HydrophobicContact CG-CE1 4.38Å; P171-Y194 PolarHBondContact O-OH 3.1Å
172S93.3Very high93.2Very high105 Ų10558.7 Ų58.773%0.73435%0.349SS*.PPolyproline II helixtrans-69.3140.5177.956.10000111.8A170 I183A170-S172 PolarHBondContact O-N 3.14Å; S172-I183 WeakPolarHBondContact O-CD1 3.26Å
173L94Very high93.1Very high43 Ų4357.2 Ų57.223%0.22534%0.343CS..PPolyproline II helixtrans-68.9148.4171.7-53179.4000110.9L34 L37 V44 T180 I183 I184L34-L173 HydrophobicContact CD1-CD1 3.86Å; L34-L173 HydrophobicContact CD1-CD2 3.95Å; L34-L173 HydrophobicContact CD1-CG 4.46Å; L37-L173 HydrophobicContact CD1-CD1 4.07Å; L37-L173 HydrophobicContact CD1-CD2 4.32Å; L37-L173 HydrophobicContact CD2-CD1 4.13Å; V44-L173 HydrophobicContact CG1-CD1 4.46Å; V44-L173 HydrophobicContact CG2-CD1 4.09Å; L173-T180 HydrophobicContact CB-CG2 4.32Å; L173-T180 HydrophobicContact CD2-CG2 3.75Å; L173-I183 HydrophobicContact CD2-CD1 4.23Å; L173-I184 HydrophobicContact CD2-CD1 3.91Å; L173-I184 HydrophobicContact CD2-CG1 3.7Å
174G92.5Very high93.2Very high19 Ų1956.1 Ų56.120%0.19634%0.338CS..  trans-82.3-178.1172.400000112.5S176 T180G174-S176 VanDerWaalsContact C-N 3.35Å; G174-T180 WeakPolarHBondContact CA-OG1 3.45Å; G174-T180 PolarHBondContact N-OG1 3.1Å
175S92.7Very high93.3Very high53 Ų5351.1 Ų51.137%0.37131%0.311SS..SBendtrans-87.1-8.2179.270.10000113.4G42 E179G42-S175 WeakPolarHBondContact O-CB 3.5Å; S175-E179 WeakPolarHBondContact CB-OE2 3.3Å; S175-E179 PolarHBondContact N-OE2 2.99Å; S175-E179 PolarHBondContact OG-OE2 2.8Å
176S93.4Very high93.3Very high38 Ų3852 Ų5227%0.26631%0.311SS..SBendtrans-142.5165.3178.6700000111.9G174 A178 E179 T180G174-S176 VanDerWaalsContact C-N 3.35Å; S176-A178 VanDerWaalsContact C-N 3.33Å; S176-A178 PolarHBondContact O-N 2.96Å; S176-E179 PolarHBondContact O-N 2.72Å; S176-E179 WeakPolarHBondContact OG-CG 3.32Å; S176-E179 PolarHBondContact OG-N 2.81Å; S176-T180 WeakPolarHBondContact O-CB 3.24Å; S176-T180 PolarHBondContact O-N 2.88Å; S176-T180 PolarHBondContact O-OG1 3.48Å
177Q92.9Very high93.4Very high104 Ų10449.4 Ų49.449%0.48630%0.296SS..Hα-helixtrans-59.1-43.2173.4-175176-26.300111.7F39 E179 T180 E181 F186F39-Q177 HydrophobicContact CD2-CB 3.99Å; F39-Q177 HydrophobicContact CE2-CB 4.01Å; Q177-E179 VanDerWaalsContact C-N 3.27Å; Q177-E179 PolarHBondContact O-N 2.99Å; Q177-T180 CarbonylContact O-C 3.59Å; Q177-T180 PolarHBondContact O-N 3.48Å; Q177-E181 WeakPolarHBondContact O-CB 3.42Å; Q177-E181 PolarHBondContact O-N 3.24Å; Q177-F186 HydrophobicContact CG-CD2 3.81Å; Q177-F186 HydrophobicContact CG-CE2 3.68Å; Q177-F186 HydrophobicContact CG-CG 4.43Å; Q177-F186 HydrophobicContact CG-CZ 4.21Å
178A91.4Very high93.7Very high55 Ų5546.7 Ų46.746%0.45528%0.275SS..Hα-helixtrans-63.6-31.518000000113.4K113 S176K113-A178 PolarHBondContact NZ-O 2.87Å; S176-A178 VanDerWaalsContact C-N 3.33Å; S176-A178 PolarHBondContact O-N 2.96Å
179E91.8Very high93.7Very high99 Ų9950 Ų5046%0.46330%0.295SS..Hα-helixtrans-80.2-16.6173.2-72.3175.4-177.500112.7S175 S176 Q177 H182S175-E179 WeakPolarHBondContact CB-OE2 3.3Å; S175-E179 PolarHBondContact N-OE2 2.99Å; S175-E179 PolarHBondContact OG-OE2 2.8Å; S176-E179 PolarHBondContact O-N 2.72Å; S176-E179 WeakPolarHBondContact OG-CG 3.32Å; S176-E179 PolarHBondContact OG-N 2.81Å; Q177-E179 VanDerWaalsContact C-N 3.27Å; Q177-E179 PolarHBondContact O-N 2.99Å; E179-H182 PolarHBondContact O-CE1 3.3Å; E179-H182 PolarHBondContact O-ND1 2.74Å
180T94.2Very high93.8Very high0 Ų048.1 Ų48.10%030%0.299CS..Hα-helixtrans-107.7-26.4-174-55.50000112.8L37 F39 L173 G174 S176 Q177 H182 I183 I184 F186L37-T180 HydrophobicContact CD1-CG2 4.26Å; F39-T180 WeakPolarHBondContact CE1-OG1 3.23Å; F39-T180 HydrophobicContact CZ-CG2 4.04Å; L173-T180 HydrophobicContact CB-CG2 4.32Å; L173-T180 HydrophobicContact CD2-CG2 3.75Å; G174-T180 WeakPolarHBondContact CA-OG1 3.45Å; G174-T180 PolarHBondContact N-OG1 3.1Å; S176-T180 WeakPolarHBondContact O-CB 3.24Å; S176-T180 PolarHBondContact O-N 2.88Å; S176-T180 PolarHBondContact O-OG1 3.48Å; Q177-T180 CarbonylContact O-C 3.59Å; Q177-T180 PolarHBondContact O-N 3.48Å; T180-H182 PolarHBondContact O-N 2.77Å; T180-I183 HydrophobicContact CG2-CG1 4.36Å; T180-I183 WeakPolarHBondContact O-CG1 3.4Å; T180-I183 PolarHBondContact O-N 2.95Å; T180-I184 HydrophobicContact CG2-CB 3.94Å; T180-I184 HydrophobicContact CG2-CG1 3.48Å; T180-I184 VanDerWaalsContact CG2-CG1 3.48Å; T180-I184 PolarHBondContact O-N 2.92Å; T180-F186 HydrophobicContact CG2-CE2 4.35Å; T180-F186 HydrophobicContact CG2-CZ 3.99Å
181E94Very high93.9Very high66 Ų6646.8 Ų46.831%0.30829%0.287SS..THydrogen-bonded Turntrans-63.6-10-17467.3-179.6-176.100114.7K113 Q177 I184 F186 R195K113-E181 VanDerWaalsContact CE-OE1 3.24Å; K113-E181 WeakPolarHBondContact CE-OE1 3.33Å; K113-E181 IonicContact NZ-OE1 3.26Å; K113-E181 PolarHBondContact NZ-OE1 3.46Å; Q177-E181 WeakPolarHBondContact O-CB 3.42Å; Q177-E181 PolarHBondContact O-N 3.24Å; E181-I184 CarbonylContact C-O 3.59Å; E181-F186 HydrophobicContact CB-CD2 3.95Å; E181-F186 HydrophobicContact CB-CE2 3.97Å; E181-R195 PolarHBondContact O-NE 3.16Å; E181-R195 PolarHBondContact O-NH2 2.83Å
182H93Very high94.1Very high62 Ų6246.6 Ų46.629%0.28729%0.286SS..THydrogen-bonded Turntrans-81.8-16.8175.674.3-75.8000112.8H111 E179 T180H111-H182 PolarHBondContact N-O 3.39Å; H111-H182 VanDerWaalsContact O-CB 3.3Å; H111-H182 WeakPolarHBondContact O-CB 3.48Å; E179-H182 PolarHBondContact O-CE1 3.3Å; E179-H182 PolarHBondContact O-ND1 2.74Å; T180-H182 PolarHBondContact O-N 2.77Å
183I95.3Very high94.3Very high2 Ų241.6 Ų41.61%0.0125%0.251CS..THydrogen-bonded Turntrans-119.8-24.8176.353.1167000113.2V110 P171 S172 L173 T180 Y194 R195V110-I183 HydrophobicContact CB-CG2 4.19Å; V110-I183 HydrophobicContact CG1-CG2 3.77Å; V110-I183 HydrophobicContact CG2-CG2 3.81Å; P171-I183 HydrophobicContact CB-CB 4.39Å; P171-I183 HydrophobicContact CB-CD1 3.85Å; P171-I183 HydrophobicContact CB-CG2 3.97Å; P171-I183 HydrophobicContact CG-CG2 4.37Å; S172-I183 WeakPolarHBondContact O-CD1 3.26Å; L173-I183 HydrophobicContact CD2-CD1 4.23Å; T180-I183 HydrophobicContact CG2-CG1 4.36Å; T180-I183 WeakPolarHBondContact O-CG1 3.4Å; T180-I183 PolarHBondContact O-N 2.95Å; I183-Y194 HydrophobicContact CD1-CE1 4.42Å; I183-Y194 CarbonylContact O-C 3.6Å; I183-Y194 WeakPolarHBondContact O-CA 3.36Å; I183-R195 PolarHBondContact O-N 2.87Å
184I96.7Very high94.5Very high0 Ų040.4 Ų40.40%024%0.244CC..BIsolated β-bridgetrans-107.5140.9177.5-62.1-55.2000110.5L34 L37 L173 T180 E181 F186 P193 Y194 R195L34-I184 HydrophobicContact CD1-CD1 4Å; L37-I184 HydrophobicContact CD1-CG1 4.23Å; L37-I184 HydrophobicContact CD1-CG2 4.29Å; L173-I184 HydrophobicContact CD2-CD1 3.91Å; L173-I184 HydrophobicContact CD2-CG1 3.7Å; T180-I184 HydrophobicContact CG2-CB 3.94Å; T180-I184 HydrophobicContact CG2-CG1 3.48Å; T180-I184 VanDerWaalsContact CG2-CG1 3.48Å; T180-I184 PolarHBondContact O-N 2.92Å; E181-I184 CarbonylContact C-O 3.59Å; I184-F186 HydrophobicContact CB-CE1 4.43Å; I184-F186 HydrophobicContact CB-CE2 4.04Å; I184-F186 HydrophobicContact CB-CZ 3.93Å; I184-F186 HydrophobicContact CG2-CD1 3.99Å; I184-F186 HydrophobicContact CG2-CD2 4.33Å; I184-F186 HydrophobicContact CG2-CE1 3.61Å; I184-F186 HydrophobicContact CG2-CE2 3.99Å; I184-F186 HydrophobicContact CG2-CG 4.33Å; I184-F186 HydrophobicContact CG2-CZ 3.62Å; I184-P193 CarbonylContact C-O 3.56Å; I184-P193 WeakPolarHBondContact CA-O 3.47Å; I184-Y194 HydrophobicContact CD1-CD1 3.64Å; I184-Y194 HydrophobicContact CD1-CD2 4.34Å; I184-Y194 HydrophobicContact CD1-CE1 3.79Å; I184-Y194 HydrophobicContact CD1-CE2 4.47Å; I184-Y194 HydrophobicContact CD1-CG 3.92Å; I184-R195 PolarHBondContact O-NE 2.81Å; I184-R195 PolarHBondContact O-NH2 2.84Å
185D95.9Very high94.7Very high20 Ų2041.9 Ų41.911%0.10724%0.243CC..  trans-93.9111170.6-160.69.6000111.1S187 P193 R195D185-S187 PolarHBondContact OD1-N 2.79Å; D185-S187 PolarHBondContact OD1-OG 2.96Å; D185-S187 PolarHBondContact OD2-OG 3.18Å; D185-P193 HydrophobicContact CB-CG 4.26Å; D185-P193 PolarHBondContact N-O 2.63Å; D185-P193 WeakPolarHBondContact O-CD 3.44Å; D185-R195 HydrophobicContact CB-CG 4.12Å; D185-R195 IonicContact OD1-CZ 3.72Å; D185-R195 IonicContact OD1-NH1 3.97Å; D185-R195 PolarHBondContact OD1-NH1 2.89Å; D185-R195 IonicContact OD1-NH2 2.74Å
186F95.1Very high95Very high52 Ų5239.9 Ų39.923%0.22823%0.228CC..  trans-934178.8-65.9-67.8000113.3L37 F39 Q177 T180 E181 I184 M188L37-F186 HydrophobicContact CB-CE1 4.07Å; L37-F186 HydrophobicContact CD1-CE1 3.87Å; L37-F186 HydrophobicContact CD1-CZ 3.97Å; L37-F186 HydrophobicContact CG-CE1 4.25Å; F39-F186 HydrophobicContact CE2-CE1 4.15Å; F39-F186 AromaticContact CE2-CZ 3.81Å; F39-F186 HydrophobicContact CE2-CZ 3.81Å; F39-F186 AromaticContact CZ-CZ 3.98Å; F39-F186 HydrophobicContact CZ-CZ 3.98Å; Q177-F186 HydrophobicContact CG-CD2 3.81Å; Q177-F186 HydrophobicContact CG-CE2 3.68Å; Q177-F186 HydrophobicContact CG-CG 4.43Å; Q177-F186 HydrophobicContact CG-CZ 4.21Å; T180-F186 HydrophobicContact CG2-CE2 4.35Å; T180-F186 HydrophobicContact CG2-CZ 3.99Å; E181-F186 HydrophobicContact CB-CD2 3.95Å; E181-F186 HydrophobicContact CB-CE2 3.97Å; I184-F186 HydrophobicContact CB-CE1 4.43Å; I184-F186 HydrophobicContact CB-CE2 4.04Å; I184-F186 HydrophobicContact CB-CZ 3.93Å; I184-F186 HydrophobicContact CG2-CD1 3.99Å; I184-F186 HydrophobicContact CG2-CD2 4.33Å; I184-F186 HydrophobicContact CG2-CE1 3.61Å; I184-F186 HydrophobicContact CG2-CE2 3.99Å; I184-F186 HydrophobicContact CG2-CG 4.33Å; I184-F186 HydrophobicContact CG2-CZ 3.62Å; F186-M188 VanDerWaalsContact C-N 3.28Å; F186-M188 PolarHBondContact O-N 3.42Å
187S94.4Very high95.1Very high89 Ų8940.8 Ų40.862%0.62223%0.23SC*.  trans-78.6-12.5-179730000113.6D185D185-S187 PolarHBondContact OD1-N 2.79Å; D185-S187 PolarHBondContact OD1-OG 2.96Å; D185-S187 PolarHBondContact OD2-OG 3.18Å
188M94.8Very high95.4Very high16 Ų1636.2 Ų36.28%0.07921%0.209CC..SBendtrans-91.8129.7-179.4-63.7-170.4-172.200111.5L72 K75 F186 I191 P193 F196L72-M188 HydrophobicContact CB-SD 4.34Å; L72-M188 HydrophobicContact CD1-CE 4.46Å; L72-M188 HydrophobicContact CD1-SD 4.3Å; K75-M188 HydrophobicContact CD-CE 3.78Å; F186-M188 VanDerWaalsContact C-N 3.28Å; F186-M188 PolarHBondContact O-N 3.42Å; M188-I191 HydrophobicContact CB-CD1 4.13Å; M188-I191 HydrophobicContact CB-CG1 3.75Å; M188-I191 HydrophobicContact SD-CD1 3.97Å; M188-P193 HydrophobicContact CE-CG 4.42Å; M188-P193 HydrophobicContact CG-CG 4.47Å; M188-P193 HydrophobicContact SD-CG 3.73Å; M188-F196 HydrophobicContact CE-CE1 4.05Å; M188-F196 HydrophobicContact CE-CZ 4.21Å
189C92.1Very high95.6Very high104 Ų10436.5 Ų36.570%0.70320%0.202SC*.THydrogen-bonded Turntrans-72.3133.2-178.1-170.90000111.2I191C189-I191 PolarHBondContact O-N 2.89Å
190G94Very high95.8Very high38 Ų3835.2 Ų35.239%0.39219%0.194SC..THydrogen-bonded Turntrans78.7-5.4173.400000115.9T36T36-G190 WeakPolarHBondContact OG1-CA 3.5Å; T36-G190 PolarHBondContact OG1-O 3.42Å
191I96.9Very high95.2Very high9 Ų940.7 Ų40.75%0.04622%0.223CC..EExtended strand (participates in β ladder)trans-141.4162.9-179.459.9168.3000110.9T33 L50 I67 S69 L72 M188 C189T33-I191 HydrophobicContact CG2-CB 3.76Å; T33-I191 HydrophobicContact CG2-CD1 4.05Å; T33-I191 HydrophobicContact CG2-CG1 4.38Å; T33-I191 HydrophobicContact CG2-CG2 4.28Å; L50-I191 HydrophobicContact CD2-CB 4.4Å; L50-I191 HydrophobicContact CD2-CG2 3.72Å; I67-I191 HydrophobicContact CG2-CG2 4.03Å; S69-I191 WeakPolarHBondContact OG-CD1 3.42Å; L72-I191 HydrophobicContact CB-CD1 4.02Å; L72-I191 HydrophobicContact CD2-CD1 4Å; M188-I191 HydrophobicContact CB-CD1 4.13Å; M188-I191 HydrophobicContact CB-CG1 3.75Å; M188-I191 HydrophobicContact SD-CD1 3.97Å; C189-I191 PolarHBondContact O-N 2.89Å
192S97.2Very high93.7Very high4 Ų437.6 Ų37.63%0.02821%0.209CC..EExtended strand (participates in β ladder)trans-137.375.9179.3-68.10000109.8L34L34-S192 WeakPolarHBondContact CB-O 3.41Å; L34-S192 PolarHBondContact N-O 3.46Å; L34-S192 VanDerWaalsContact N-O 3.1Å; L34-S192 PolarHBondContact O-N 3.01Å
193P97.9Very high92.4Very high0 Ų039.8 Ų39.80%022%0.222CC..EExtended strand (participates in β ladder)trans-67.7149.3178.826.7-31.9000112.4T33 I184 D185 M188 R195 F196T33-P193 HydrophobicContact CG2-CB 4Å; I184-P193 CarbonylContact C-O 3.56Å; I184-P193 WeakPolarHBondContact CA-O 3.47Å; D185-P193 HydrophobicContact CB-CG 4.26Å; D185-P193 PolarHBondContact N-O 2.63Å; D185-P193 WeakPolarHBondContact O-CD 3.44Å; M188-P193 HydrophobicContact CE-CG 4.42Å; M188-P193 HydrophobicContact CG-CG 4.47Å; M188-P193 HydrophobicContact SD-CG 3.73Å; P193-R195 PolarHBondContact O-N 3.44Å; P193-F196 HydrophobicContact CB-CD1 4.32Å; P193-F196 HydrophobicContact CB-CE1 4.23Å; P193-F196 HydrophobicContact CG-CE1 4.4Å
194Y98.1Very high90.3Very high19 Ų1941.1 Ų41.18%0.07523%0.232CC..BIsolated β-bridgetrans-55.7141.6159.7-76.1-82.1000108.8R32 W124 A170 P171 I183 I184 F196R32-Y194 HydrophobicContact CB-CD2 4.28Å; R32-Y194 WeakPolarHBondContact O-CD2 3.15Å; R32-Y194 PolarHBondContact O-N 3.45Å; W124-Y194 AromaticContact CZ2-CD1 3.97Å; W124-Y194 HydrophobicContact CZ2-CD1 3.97Å; W124-Y194 HydrophobicContact CZ2-CG 4.04Å; A170-Y194 HydrophobicContact CB-CE1 4.49Å; A170-Y194 HydrophobicContact CB-CE2 4.2Å; A170-Y194 WeakPolarHBondContact CB-OH 3.46Å; P171-Y194 HydrophobicContact CB-CE1 4.35Å; P171-Y194 HydrophobicContact CG-CE1 4.38Å; P171-Y194 PolarHBondContact O-OH 3.1Å; I183-Y194 HydrophobicContact CD1-CE1 4.42Å; I183-Y194 CarbonylContact O-C 3.6Å; I183-Y194 WeakPolarHBondContact O-CA 3.36Å; I184-Y194 HydrophobicContact CD1-CD1 3.64Å; I184-Y194 HydrophobicContact CD1-CD2 4.34Å; I184-Y194 HydrophobicContact CD1-CE1 3.79Å; I184-Y194 HydrophobicContact CD1-CE2 4.47Å; I184-Y194 HydrophobicContact CD1-CG 3.92Å; Y194-F196 WeakPolarHBondContact O-CD1 3.25Å; Y194-F196 PolarHBondContact O-N 3.01Å; Y194-F196 VanDerWaalsContact O-N 3.09Å
195R97.4Very high87.7Confident50 Ų5044.1 Ų44.119%0.18925%0.252CS..PPolyproline II helixtrans-57.7120.6178.3-71.4-165.2175.1-67.7-6.2109.3F108 M109 E181 I183 I184 D185 P193F108-R195 CarbonylContact C-O 3.55Å; F108-R195 WeakPolarHBondContact CA-O 3.39Å; M109-R195 PolarHBondContact N-O 3.03Å; E181-R195 PolarHBondContact O-NE 3.16Å; E181-R195 PolarHBondContact O-NH2 2.83Å; I183-R195 PolarHBondContact O-N 2.87Å; I184-R195 PolarHBondContact O-NE 2.81Å; I184-R195 PolarHBondContact O-NH2 2.84Å; D185-R195 HydrophobicContact CB-CG 4.12Å; D185-R195 IonicContact OD1-CZ 3.72Å; D185-R195 IonicContact OD1-NH1 3.97Å; D185-R195 PolarHBondContact OD1-NH1 2.89Å; D185-R195 IonicContact OD1-NH2 2.74Å; P193-R195 PolarHBondContact O-N 3.44Å
196F97.8Very high85.1Confident10 Ų1051.2 Ų51.24%0.04429%0.285CS..EExtended strand (participates in β ladder)trans-134158.1-179.475.7-88.6000112L29 L72 K75 L106 E107 F108 M188 P193 Y194 I198L29-F196 HydrophobicContact CD2-CD1 3.86Å; L29-F196 HydrophobicContact CD2-CD2 4.24Å; L29-F196 HydrophobicContact CD2-CE1 3.85Å; L29-F196 HydrophobicContact CD2-CE2 4.23Å; L29-F196 HydrophobicContact CD2-CG 4.06Å; L29-F196 HydrophobicContact CD2-CZ 4.04Å; L72-F196 HydrophobicContact CD1-CE1 3.7Å; L72-F196 HydrophobicContact CD1-CZ 3.44Å; L72-F196 VanDerWaalsContact CD1-CZ 3.44Å; K75-F196 HydrophobicContact CD-CE2 3.96Å; K75-F196 HydrophobicContact CD-CZ 3.69Å; K75-F196 HydrophobicContact CG-CE2 4.33Å; K75-F196 HydrophobicContact CG-CZ 4.3Å; L106-F196 HydrophobicContact CD1-CB 4.03Å; L106-F196 HydrophobicContact CD1-CD2 3.48Å; L106-F196 VanDerWaalsContact CD1-CD2 3.48Å; L106-F196 HydrophobicContact CD1-CE2 4.25Å; L106-F196 HydrophobicContact CD1-CG 4.02Å; E107-F196 CarbonylContact O-C 3.42Å; E107-F196 WeakPolarHBondContact O-CA 3.21Å; E107-F196 WeakPolarHBondContact O-CB 3.25Å; F108-F196 HydrophobicContact CD1-CB 3.66Å; F108-F196 HydrophobicContact CE1-CB 3.72Å; F108-F196 HydrophobicContact CE1-CG 4.4Å; F108-F196 HydrophobicContact CG-CB 4.44Å; M188-F196 HydrophobicContact CE-CE1 4.05Å; M188-F196 HydrophobicContact CE-CZ 4.21Å; P193-F196 HydrophobicContact CB-CD1 4.32Å; P193-F196 HydrophobicContact CB-CE1 4.23Å; P193-F196 HydrophobicContact CG-CE1 4.4Å; Y194-F196 WeakPolarHBondContact O-CD1 3.25Å; Y194-F196 PolarHBondContact O-N 3.01Å; Y194-F196 VanDerWaalsContact O-N 3.09Å; F196-I198 HydrophobicContact CD2-CG1 4.13Å; F196-I198 HydrophobicContact CE2-CD1 4.02Å; F196-I198 HydrophobicContact CE2-CG1 4.09Å
197N96.9Very high82.3Confident57 Ų5753 Ų5331%0.30530%0.304SS..EExtended strand (participates in β ladder)trans-132.2151.7168.7-166.414.4000110E107 M109 N199E107-N197 PolarHBondContact N-O 2.9Å; E107-N197 PolarHBondContact O-N 2.81Å; M109-N197 HydrophobicContact CE-CB 3.55Å; M109-N197 HydrophobicContact SD-CB 4.43Å; N197-N199 PolarHBondContact ND2-ND2 3.07Å; N197-N199 PolarHBondContact ND2-OD1 2.96Å
198I98.4Very high79.3Confident9 Ų960.4 Ų60.45%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-117.9116.7172.9-59.8170.6000107.7F25 V76 S79 I104 N105 L106 F196F25-I198 HydrophobicContact CD2-CD1 4.05Å; F25-I198 HydrophobicContact CD2-CG1 4.46Å; F25-I198 HydrophobicContact CD2-CG2 4.37Å; F25-I198 HydrophobicContact CE2-CD1 4.37Å; F25-I198 HydrophobicContact CE2-CG1 4.37Å; F25-I198 HydrophobicContact CE2-CG2 3.66Å; V76-I198 HydrophobicContact CB-CD1 4.42Å; V76-I198 HydrophobicContact CG2-CD1 3.98Å; S79-I198 VanDerWaalsContact CB-CG2 3.44Å; I104-I198 HydrophobicContact CD1-CG2 3.7Å; I104-I198 HydrophobicContact CG1-CG2 3.81Å; N105-I198 VanDerWaalsContact O-CA 3.25Å; N105-I198 WeakPolarHBondContact O-CA 3.18Å; L106-I198 HydrophobicContact CD1-CD1 4.45Å; L106-I198 HydrophobicContact CD1-CG1 3.82Å; F196-I198 HydrophobicContact CD2-CG1 4.13Å; F196-I198 HydrophobicContact CE2-CD1 4.02Å; F196-I198 HydrophobicContact CE2-CG1 4.09Å
199N96.2Very high76.4Confident60 Ų6064.7 Ų64.732%0.32135%0.35SS..EExtended strand (participates in β ladder)trans-128.4147.7-177.8-59.7-58.4000109.5N105 E107 N197N105-N199 PolarHBondContact N-O 2.67Å; N105-N199 PolarHBondContact O-N 3.27Å; E107-N199 PolarHBondContact OE2-ND2 2.75Å; N197-N199 PolarHBondContact ND2-ND2 3.07Å; N197-N199 PolarHBondContact ND2-OD1 2.96Å
200Y95.5Very high73.5Confident72 Ų7263.8 Ų63.828%0.28236%0.358SS..EExtended strand (participates in β ladder)trans-130.5152.2173.762.7-92.1000111.7A82 F83 A86 A103 A202A82-Y200 HydrophobicContact CB-CE1 3.82Å; A82-Y200 PolarHBondContact O-OH 3.28Å; F83-Y200 HydrophobicContact CB-CD1 3.84Å; F83-Y200 HydrophobicContact CB-CD2 4.38Å; F83-Y200 HydrophobicContact CB-CE1 4.31Å; F83-Y200 HydrophobicContact CB-CG 3.88Å; F83-Y200 VanDerWaalsContact CD2-CB 3.49Å; F83-Y200 AromaticContact CD2-CD2 3.81Å; F83-Y200 HydrophobicContact CD2-CD2 3.81Å; F83-Y200 AromaticContact CD2-CG 3.71Å; F83-Y200 HydrophobicContact CD2-CG 3.71Å; F83-Y200 HydrophobicContact CG-CG 4.22Å; A86-Y200 HydrophobicContact CB-CD2 4.31Å; A86-Y200 HydrophobicContact CB-CE2 3.58Å; A103-Y200 CarbonylContact O-C 3.59Å; A103-Y200 VanDerWaalsContact O-CA 3.22Å; A103-Y200 WeakPolarHBondContact O-CA 3.44Å; A103-Y200 WeakPolarHBondContact O-CB 3.08Å; Y200-A202 HydrophobicContact CD2-CB 4.3Å; Y200-A202 HydrophobicContact CE2-CB 4.34Å
201L81Confident70.7Confident115 Ų11568 Ų6860%0.60238%0.376SS*.EExtended strand (participates in β ladder)trans-109.3110.1169.8-64174.5000107.6A103A103-L201 PolarHBondContact N-O 2.72Å; A103-L201 PolarHBondContact O-N 3.26Å
202A64.1Low67.5Low2 Ų272.4 Ų72.42%0.01741%0.408CS..  trans-100.5147.2163.300000108.8A86 Y200 S204 C205A86-A202 HydrophobicContact CB-CB 3.66Å; Y200-A202 HydrophobicContact CD2-CB 4.3Å; Y200-A202 HydrophobicContact CE2-CB 4.34Å; A202-S204 PolarHBondContact O-N 3.48Å; A202-C205 HydrophobicContact CB-CB 4.49Å; A202-C205 PolarHBondContact O-N 3.32Å
203N64.7Low64.4Low107 Ų10778.3 Ų78.357%0.57244%0.443SS*.G310 helixtrans-60.6-34.3-177.4-71.5-27.3000111D90 C205D90-N203 PolarHBondContact OD2-N 2.92Å; N203-C205 PolarHBondContact O-N 3.31Å
204S51.3Low61.1Low31 Ų3183.5 Ų83.522%0.21748%0.475CS..G310 helixtrans-74.1-17.6175.856.70000115.3R89 D90 A202 Q206 S207R89-S204 PolarHBondContact NE-OG 2.83Å; R89-S204 PolarHBondContact NH2-OG 2.87Å; D90-S204 WeakPolarHBondContact OD1-CB 3.49Å; D90-S204 PolarHBondContact OD1-N 3.44Å; D90-S204 PolarHBondContact OD1-OG 3.12Å; D90-S204 PolarHBondContact OD2-N 3.15Å; A202-S204 PolarHBondContact O-N 3.48Å; S204-Q206 PolarHBondContact O-N 3.05Å; S204-S207 PolarHBondContact O-N 3.24Å; S204-S207 PolarHBondContact O-OG 2.97Å
205C42.5Very low57.9Low62 Ų6290.4 Ų90.442%0.41951%0.51SS..G310 helixtrans-75-7.2179.1-71.40000113.3A202 N203 S207A202-C205 HydrophobicContact CB-CB 4.49Å; A202-C205 PolarHBondContact O-N 3.32Å; N203-C205 PolarHBondContact O-N 3.31Å; C205-S207 PolarHBondContact O-N 3.45Å
206Q39.9Very low54.9Low169 Ų16998.9 Ų98.979%0.7954%0.542SS*.G310 helixtrans-76.6-9.3171.3-65.1-172.224.100113.4S204S204-Q206 PolarHBondContact O-N 3.05Å
207S36.5Very low51.8Low91 Ų91107.7 Ų107.764%0.63658%0.575SS**G310 helixtrans-126.754.2-178.769.40000113.2S204 C205S204-S207 PolarHBondContact O-N 3.24Å; S204-S207 PolarHBondContact O-OG 2.97Å; C205-S207 PolarHBondContact O-N 3.45Å
208R33.1Very low49.2Very low243 Ų243112.9 Ų112.992%0.91760%0.601SS**  trans17379.7150.3-99.2164.7179.5-162.81.1110.7
209S32Very low46.4Very low106 Ų106120.5 Ų120.574%0.74163%0.634SS**  trans-145.798.8139.8-163.50000107.3V211S209-V211 PolarHBondContact O-N 3.33Å
210G32Very low43.4Very low85 Ų85127.1 Ų127.188%0.87666%0.66SS**  trans-69.679.9168.600000109
211V35.5Very low40.6Very low127 Ų127131.3 Ų131.377%0.7769%0.687SS**  trans-130.398.2151.2-1730000105.8S209S209-V211 PolarHBondContact O-N 3.33Å
212S28.8Very low38.1Very low102 Ų102129.4 Ų129.471%0.71369%0.688SS**  trans-67.8171.5177.4-179.60000111.5
213V32.1Very low36.8Very low127 Ų127140.8 Ų140.877%0.7773%0.731SS**  trans89.5105.3160.3-167.90000113
214T30.4Very low35.7Very low109 Ų109147.6 Ų147.667%0.66977%0.766SS**  cis-162.2127.714.5-45.40000109.3R216T214-R216 PolarHBondContact O-N 3.45Å; T214-R216 VanDerWaalsContact O-N 3.15Å
215M30.4Very low34.9Very low164 Ų164153.4 Ų153.481%0.80879%0.793SS**  trans-65.2107.4155.6-84.1-165.1-120.400108.3R217M215-R217 PolarHBondContact O-N 2.95Å
216R33.7Very low34.5Very low229 Ų229158.2 Ų158.286%0.86481%0.813SS**  trans-72.381.4163.3-73.5-168.1-164174.16.9109.1T214T214-R216 PolarHBondContact O-N 3.45Å; T214-R216 VanDerWaalsContact O-N 3.15Å
217R33.4Very low34.2Very low194 Ų194157.6 Ų157.673%0.73281%0.814SS**  trans-110.788.6153.7-86.2-176.8174.4161.8-1.2107M215 F219M215-R217 PolarHBondContact O-N 2.95Å; R217-F219 HydrophobicContact CB-CE2 4.41Å
218I42.2Very low34Very low167 Ų167161.5 Ų161.586%0.85682%0.824SS**  trans-96.7115.9163.2-62.8176.4000106.1
219F38.6Very low34.1Very low169 Ų169156.4 Ų156.474%0.74182%0.819SS**  trans-67.6144.8-175.8-76.3-99.6000111.2R217 D221R217-F219 HydrophobicContact CB-CE2 4.41Å; F219-D221 PolarHBondContact O-N 3.17Å
220K33.7Very low34.2Very low199 Ų199159.8 Ų159.887%0.86582%0.824SS**  trans-65104165.5-177.9179.7179.6-179.60108.3A222K220-A222 PolarHBondContact O-N 2.69Å
221D36.2Very low34.4Very low159 Ų159165.1 Ų165.185%0.8582%0.82SS**  trans-72.7107.3164.1-90.7-32.6000108.9F219F219-D221 PolarHBondContact O-N 3.17Å
222A30.1Very low34.3Very low76 Ų76168.1 Ų168.163%0.62882%0.824SS**  trans-90126151.600000107.1K220K220-A222 PolarHBondContact O-N 2.69Å
223R35Very low34.8Very low241 Ų241173.6 Ų173.691%0.90983%0.833SS**  trans-171.7119.6144.7-101.9161.4-159.3-158.86.6110.7
224L41.5Very low35Very low249 Ų249177.8 Ų177.8100%1.30484%0.839SS**  trans70.60161.9-56.1173.5000116.7

Retrieved 224 of 224 residues in 46.3 ms (Link to these results)

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